Search Ligand
Browse Ligand
| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 39201 | UBX CHEMBL2219860 ZINC000095557219 |
1 | C16 H26 N3 O5 P | InChI=1S/C16H26N3O5P/c1-1 2(2)9-14(15(20)17-3)19-25 (22,23)11-18-16(21)24-10- 13-7-5-4-6-8-13/h4-8,12,1 4H,9-11H2,1-3H3,(H,17,20) (H,18,21)(H2,19,22,23)/t1 4-/m0/s1; VZBGTFZRCJNJEQ-AWEZNQCLSA-N |
CNC(=O)[C@H](CC(C)C)N[P](O)(=O)CNC(=O)OC c1ccccc1; CC(C)CC(C(=O)NC)NP(=O)(CNC(=O) OCc1ccccc1)O; CC(C)C[C@@H](C(=O)NC)NP(=O )(CNC(=O)OCc1ccccc1)O; O=C(NC)C(NP(=O)(O )CNC(=O)OCc1ccccc1)CC(C)C; CNC(=O)[CH](C C(C)C)N[P](O)(=O)CNC(=O)OCc1ccccc1 |
N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-methyl-L-leucinamide |
| 39202 | UBY CHEMBL2219859 |
1 | C18 H28 N3 O7 P | InChI=1S/C18H28N3O7P/c1-1 2(2)9-15(16(22)20-13(3)17 (23)24)21-29(26,27)11-19- 18(25)28-10-14-7-5-4-6-8- 14/h4-8,12-13,15H,9-11H2, 1-3H3,(H,19,25)(H,20,22)( H,23,24)(H2,21,26,27)/t13 -,15-/m0/s1; DVNAMUNBHDIPLR-ZFWWWQNUSA-N |
C[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NP(=O) (CNC(=O)OCc1ccccc1)O; CC(C)C[C@H](N[P](O )(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C( O)=O; CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1c cccc1)C(=O)N[CH](C)C(O)=O; O=C(O)C(NC(=O )C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C)C; CC(C)CC(C(=O)NC(C)C(=O)O)NP(=O)(CNC(=O)O Cc1ccccc1)O |
N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-L-alanine |
| 39203 | UBZ CHEMBL3558975 ZINC000098209491 |
1 | C19 H30 N3 O7 P | InChI=1S/C19H30N3O7P/c1-4 -15(18(24)25)21-17(23)16( 10-13(2)3)22-30(27,28)12- 20-19(26)29-11-14-8-6-5-7 -9-14/h5-9,13,15-16H,4,10 -12H2,1-3H3,(H,20,26)(H,2 1,23)(H,24,25)(H2,22,27,2 8)/t15-,16-/m0/s1; MAJTVQOCKLWFFD-HOTGVXAUSA-N |
CC[CH](NC(=O)[CH](CC(C)C)N[P](O)(=O)CNC( =O)OCc1ccccc1)C(O)=O; CC[C@H](NC(=O)[C@H ](CC(C)C)N[P](O)(=O)CNC(=O)OCc1ccccc1)C( O)=O; O=C(O)C(NC(=O)C(NP(=O)(O)CNC(=O)OC c1ccccc1)CC(C)C)CC; CC[C@@H](C(=O)O)NC(= O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1) O; CCC(C(=O)O)NC(=O)C(CC(C)C)NP(=O)(CNC( =O)OCc1ccccc1)O |
(2S)-2-({N-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl}amino)butanoic acid |
| 39204 | UC0 | 1 | C34 H38 Cl N O8 S | InChI=1S/C34H38ClNO8S/c1- 4-8-25(30-16-17-31(35)45- 30)33(39)36-18-6-5-11-26( 36)34(40)44-27(23-9-7-10- 24(20-23)43-21-32(37)38)1 4-12-22-13-15-28(41-2)29( 19-22)42-3/h4,7,9-10,13,1 5-17,19-20,25-27H,1,5-6,8 ,11-12,14,18,21H2,2-3H3,( H,37,38)/t25-,26+,27-/m1/ s1; NEIWCSGIZZQIHO-KWXIBIRDSA-N |
COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCC(=O)O )OC(=O)[C@@H]3CCCCN3C(=O)[C@H](CC=C)c4cc c(s4)Cl; COc1ccc(CC[CH](OC(=O)[CH]2CCCCN 2C(=O)[CH](CC=C)c3sc(Cl)cc3)c4cccc(OCC(O )=O)c4)cc1OC; COc1ccc(cc1OC)CCC(c2cccc(c 2)OCC(=O)O)OC(=O)C3CCCCN3C(=O)C(CC=C)c4c cc(s4)Cl; COc1ccc(CC[C@@H](OC(=O)[C@@H]2 CCCCN2C(=O)[C@H](CC=C)c3sc(Cl)cc3)c4cccc (OCC(O)=O)c4)cc1OC |
2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)pent-4-enoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid |
| 39205 | UC1 CHEMBL54893 DB05871 ZINC000006069063 |
4 | C17 H18 Cl N O2 S | InChI=1S/C17H18ClNO2S/c1- 11(2)6-8-21-16-10-13(4-5- 15(16)18)19-17(22)14-7-9- 20-12(14)3/h4-7,9-10H,8H2 ,1-3H3,(H,19,22); YZHIXLCGPOTQNB-UHFFFAOYSA-N |
Cc1c(cco1)C(=S)Nc2ccc(c(c2)OCC=C(C)C)Cl; S=C(Nc1ccc(Cl)c(OC\C=C(/C)C)c1)c2c(occ2 )C; CC(C)=CCOc1cc(NC(=S)c2ccoc2C)ccc1Cl |
2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE; UC781 |
| 39206 | UC2 CHEMBL99965 DB08680 ZINC000006483660 |
1 | C17 H19 Cl N2 O2 S | InChI=1S/C17H19ClN2O2S/c1 -11-14(7-8-21-11)16(23)20 -13-5-6-15(18)12(9-13)10- 19-22-17(2,3)4/h5-10H,1-4 H3,(H,20,23)/b19-10+; PLGIIOKXCKDKEU-VXLYETTFSA-N |
Cc1occc1C(=S)Nc2ccc(Cl)c(\C=N\OC(C)(C)C) c2; Cc1c(cco1)C(=S)Nc2ccc(c(c2)C=NOC(C)( C)C)Cl; S=C(Nc1cc(\C=N\OC(C)(C)C)c(Cl)cc 1)c2c(occ2)C; Cc1occc1C(=S)Nc2ccc(Cl)c(C =NOC(C)(C)C)c2; Cc1c(cco1)C(=S)Nc2ccc(c( c2)\C=N\OC(C)(C)C)Cl |
N-[4-CLORO-3-(T-BUTYLOXOME)PHENYL-2-METHYL-3-FURAN-CARBOTHIAMIDE; UC10 |
| 39207 | UC3 CHEMBL440510 DB08681 ZINC000003870524 |
1 | C14 H18 Cl N O3 S | InChI=1S/C14H18ClNO3S/c1- 8(2)18-13(17)11-7-10(5-6- 12(11)15)16-14(20)19-9(3) 4/h5-9H,1-4H3,(H,16,20); AXTNFJKQZPETJA-UHFFFAOYSA-N |
CC(C)OC(=S)Nc1ccc(Cl)c(c1)C(=O)OC(C)C; O =C(OC(C)C)c1cc(ccc1Cl)NC(=S)OC(C)C; CC(C )OC(=O)c1cc(ccc1Cl)NC(=S)OC(C)C |
1-METHYL ETHYL 2-CHLORO-5-[[[(1-METHYLETHOXY)THIOOXO]METHYL]AMINO]-BENZOATE; UC38 |
| 39208 | UC4 CHEMBL190729 DB08682 ZINC000001492540 |
1 | C16 H18 Cl N O4 S | InChI=1S/C16H18ClNO4S/c1- 9(2)22-16(20)12-8-11(4-5- 13(12)17)18-15(19)14-10(3 )21-6-7-23-14/h4-5,8-9H,6 -7H2,1-3H3,(H,18,19); FMQGUMRNTBJHEA-UHFFFAOYSA-N |
CC(C)OC(=O)c1cc(NC(=O)C2=C(C)OCCS2)ccc1C l; O=C(C=1SCCOC=1C)Nc2cc(C(=O)OC(C)C)c(C l)cc2; CC1=C(SCCO1)C(=O)Nc2ccc(c(c2)C(=O )OC(C)C)Cl |
1-METHYL ETHYL 1-CHLORO-5-[[(5,6DIHYDRO-2-METHYL-1,4-OXATHIIN-3-YL)CARBONYL]AMINO]BENZOATE; UC84 |
| 39209 | UC5 CHEMBL1236535 |
1 | C10 H16 N2 O10 P2 | InChI=1S/C10H16N2O10P2/c1 3-6-3-9(12-2-1-8(14)11-10 (12)15)22-7(6)4-21-24(19, 20)5-23(16,17)18/h1-2,6-7 ,9,13H,3-5H2,(H,19,20)(H, 11,14,15)(H2,16,17,18)/t6 -,7+,9+/m0/s1; MYBNSHXDOWMNJH-LKEWCRSYSA-N |
C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO [P@](=O)(CP(=O)(O)O)O)O; O[CH]1C[CH](O[C H]1CO[P](O)(=O)C[P](O)(O)=O)N2C=CC(=O)NC 2=O; C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(CP (=O)(O)O)O)O; O[C@H]1C[C@@H](O[C@@H]1CO[ P@](O)(=O)C[P](O)(O)=O)N2C=CC(=O)NC2=O; O=P(O)(O)CP(=O)(O)OCC2OC(N1C(=O)NC(=O)C= C1)CC2O |
2'-DEOXY-5'-O-[(S)-HYDROXY(PHOSPHONOMETHYL)PHOSPHORYL]URIDINE |
| 39210 | UC6 | 1 | C6 H10 O5 | InChI=1S/C6H10O5/c7-1-4-6 (10)5(9)3(8)2-11-4/h3-4,6 -8,10H,1-2H2; TWOSIGGTFLLPLQ-UHFFFAOYSA-N |
C1[C@H](C(=O)[C@H]([C@@H](O1)CO)O)O; OC1 C(CO)OCC(O)C1=O; OC[C@@H]1OC[C@@H](O)C(= O)[C@H]1O; OC[CH]1OC[CH](O)C(=O)[CH]1O; C1C(C(=O)C(C(O1)CO)O)O |
1,5-anhydro-D-ribo-hex-3-ulose |
| 39211 | UC7 CHEMBL1472131 ZINC000004344110 |
1 | C20 H24 N2 O2 | InChI=1S/C20H24N2O2/c1-3- 5-12-21-17-11-10-16-18-14 (17)8-7-9-15(18)19(23)22( 20(16)24)13-6-4-2/h7-11,2 1H,3-6,12-13H2,1-2H3; DXWHZJXKTHGHQF-UHFFFAOYSA-N |
CCCCNc1ccc2c3c1cccc3C(=O)N(C2=O)CCCC; CC CCNc1ccc2C(=O)N(CCCC)C(=O)c3cccc1c23; O= C1c2ccc(NCCCC)c3cccc(C(=O)N1CCCC)c32 |
2-butyl-6-(butylamino)-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| 39212 | UC8 | 1 | C35 H36 N6 O3 | InChI=1S/C35H36N6O3/c1-3- 32(42)38-27-13-14-30-31(2 0-27)41(35(44)39-30)28-15 -17-40(18-16-28)22-23-9-1 1-25(12-10-23)33-29(24-7- 5-4-6-8-24)19-26(21-37-33 )34(43)36-2/h4-14,19-21,2 8H,3,15-18,22H2,1-2H3,(H, 36,43)(H,38,42)(H,39,44); DHCFQGXSUHCKEE-UHFFFAOYSA-N |
CCC(=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)C c4ccc(cc4)c5c(cc(cn5)C(=O)NC)c6ccccc6; C CC(=O)Nc1ccc2NC(=O)N(C3CCN(CC3)Cc4ccc(cc 4)c5ncc(cc5c6ccccc6)C(=O)NC)c2c1 |
~{N}-methyl-6-[4-[[4-[2-oxidanylidene-6-(propanoylamino)-3~{H}-benzimidazol-1-yl]piperidin-1-yl]methyl]phenyl]-5-phenyl-pyridine-3-carboxamide |
| 39213 | UC9 | 1 | C24 H22 N4 O4 | InChI=1S/C24H22N4O4/c1-3- 19-17(22(25)28-24(26)27-1 9)9-4-13(2)16-10-18(21-20 (11-16)31-12-32-21)14-5-7 -15(8-6-14)23(29)30/h5-8, 10-11,13H,3,12H2,1-2H3,(H ,29,30)(H4,25,26,27,28)/t 13-/m1/s1; NQHZOWBSMCFILX-CYBMUJFWSA-N |
CCc1nc(N)nc(N)c1C#C[CH](C)c2cc3OCOc3c(c2 )c4ccc(cc4)C(O)=O; CCc1nc(N)nc(N)c1C#C[C @@H](C)c2cc3OCOc3c(c2)c4ccc(cc4)C(O)=O; CCc1c(c(nc(n1)N)N)C#CC(C)c2cc(c3c(c2)OCO 3)c4ccc(cc4)C(=O)O; c4(CC)c(C#CC(c2cc1OC Oc1c(c2)c3ccc(cc3)C(=O)O)C)c(nc(n4)N)N; CCc1c(c(nc(n1)N)N)C#C[C@@H](C)c2cc(c3c(c 2)OCO3)c4ccc(cc4)C(=O)O |
4-{6-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-2H-1,3-benzodioxol-4-yl}benzoic acid |
| 39214 | UCA ZINC000219083543 |
1 | C34 H52 N7 O19 P3 S | InChI=1S/C34H52N7O19P3S/c 1-33(2,28(47)31(48)37-11- 9-23(44)36-12-13-64-24(45 )7-4-18-19-5-6-22(43)34(1 9,3)10-8-20(18)42)15-57-6 3(54,55)60-62(52,53)56-14 -21-27(59-61(49,50)51)26( 46)32(58-21)41-17-40-25-2 9(35)38-16-39-30(25)41/h1 6-19,21,26-28,32,46-47H,4 -15H2,1-3H3,(H,36,44)(H,3 7,48)(H,52,53)(H,54,55)(H 2,35,38,39)(H2,49,50,51)/ t18-,19-,21+,26+,27+,28-, 32+,34-/m0/s1; IWNWMTZIJPUDPV-MDQHZGBLSA-N |
O=C1CCC2C1(C)CCC(=O)C2CCC(=O)SCCNC(=O)CC NC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC5 OC(n4cnc3c(ncnc34)N)C(O)C5OP(=O)(O)O; CC (C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]( [CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc2 3)[CH](O)C(=O)NCCC(=O)NCCSC(=O)CC[CH]4[C H]5CCC(=O)[C]5(C)CCC4=O; CC(C)(CO[P](O)( =O)O[P](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@ @H]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[C@@H] (O)C(=O)NCCC(=O)NCCSC(=O)CC[C@H]4[C@@H]5 CCC(=O)[C@@]5(C)CCC4=O; CC12CCC(=O)C(C1C CC2=O)CCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)C OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4n cnc5N)O)OP(=O)(O)O)O; C[C@]12CCC(=O)[C@H ]([C@@H]1CCC2=O)CCC(=O)SCCNC(=O)CCNC(=O) [C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H ]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O )OP(=O)(O)O)O |
S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-[(3aS,4S,7aS)-7a-methyl-1,5-bis(oxidanylidene)-2,3,3a,4,6,7-hexahydroinden-4-yl]propanethioate; HIP-CoA |
| 39215 | UCB | 0 | C29 H37 Cl2 N2 O2 | InChI=1S/C29H36Cl2N2O2/c1 -2-33(19-20-7-5-3-4-6-8-2 0)15-13-23(14-16-33)32-29 (34)28-24-17-21(30)9-11-2 6(24)35-27-12-10-22(31)18 -25(27)28/h9-12,17-18,20, 23,28H,2-8,13-16,19H2,1H3 /p+1/t23-,33-; ZTXGBIXSMSZDOC-ZOKJZWPRSA-O |
CC[N+]1(CC[CH](CC1)NC(=O)[CH]2c3cc(Cl)cc c3Oc4ccc(Cl)cc24)CC5CCCCCC5; CC[N+]1(CCC (CC1)NC(=O)C2c3cc(ccc3Oc4c2cc(cc4)Cl)Cl) CC5CCCCCC5; CC[N@@+]1(CC[C@@H](CC1)NC(=O )[C@H]2c3cc(Cl)ccc3Oc4ccc(Cl)cc24)CC5CCC CCC5; Clc5cc2c(Oc1ccc(Cl)cc1C2C(=O)NC4CC [N+](CC)(CC3CCCCCC3)CC4)cc5 |
1-(CYCLOHEPTYLMETHYL)-4-{[(2,7-DICHLORO-9H-XANTHEN-9-YL)CARBONYL]AMINO}-1-ETHYLPIPERIDINIUM; UCB35625 |
| 39216 | UCC ZINC000096095622 |
2 | C32 H56 N7 O17 P3 S | InChI=1S/C32H56N7O17P3S/c 1-4-5-6-7-8-9-10-11-12-23 (41)60-16-15-34-22(40)13- 14-35-30(44)27(43)32(2,3) 18-53-59(50,51)56-58(48,4 9)52-17-21-26(55-57(45,46 )47)25(42)31(54-21)39-20- 38-24-28(33)36-19-37-29(2 4)39/h19-21,25-27,31,42-4 3H,4-18H2,1-3H3,(H,34,40) (H,35,44)(H,48,49)(H,50,5 1)(H2,33,36,37)(H2,45,46, 47)/t21-,25-,26-,27+,31-/ m1/s1; IZWCGXGZGYKDHR-GRBGHKMPSA-N |
CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C (C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH ]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncn c23; CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C (C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2 cnc3c2ncnc3N)O)OP(=O)(O)O)O; CCCCCCCCCCC (=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(= O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H ](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O; CCCC CCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C) (C)CO[P](O)(=O)O[P](O)(=O)OC[C@H]1O[C@H] ([C@H](O)[C@@H]1O[P](O)(O)=O)n2cnc3c(N)n cnc23; O=C(CCCCCCCCCC)SCCNC(=O)CCNC(=O)C (C(C)(C)COP(=O)(O)OP(O)(OCC1OC(C(C1OP(O) (O)=O)O)n2cnc3c2ncnc3N)=O)O |
S-{(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} undecanethioate; undecanoyl coenzyme A |
| 39217 | UCD | 0 | C14 H21 N O11 | InChI=1S/C14H21NO11/c1-4( 17)15-8-11(10(20)7(3-16)2 4-13(8)23)26-14-9(19)5(18 )2-6(25-14)12(21)22/h2,5, 7-11,13-14,16,18-20,23H,3 H2,1H3,(H,15,17)(H,21,22) /t5-,7+,8+,9+,10-,11+,13+ ,14-/m0/s1; DLGJWSVWTWEWBJ-MUODBDBBSA-N |
CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@H](O)[ C@@H]1O[C@@H]2OC(=C[C@H](O)[C@H]2O)C(O)= O; CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[C H]1O[CH]2OC(=C[CH](O)[CH]2O)C(O)=O; CC(= O)NC1C(C(C(OC1O)CO)O)OC2C(C(C=C(O2)C(=O) O)O)O; O=C(O)C=2OC(OC1C(O)C(OC(O)C1NC(=O )C)CO)C(O)C(O)C=2; CC(=O)N[C@@H]1[C@H]([ C@H]([C@H](O[C@H]1O)CO)O)O[C@H]2[C@@H]([ C@H](C=C(O2)C(=O)O)O)O |
(4S,5R,6R)-6-((2R,3R,4R,5R,6R)-3-ACETAMIDO-2,5-DIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-4-YLOXY)-4,5-DIHYDROXY-5 ,6-DIHYDRO-4H-PYRAN-2-CARBOXYLIC ACID; 4-DEOXY-L-THREO-HEX-4-ENOPYRANOSYLURONIC ACID-(1,3)-N-ACETYL-D-GALACTOSAMINE; UNSATURATED CHONDROITIN DISACCHARIDE |
| 39218 | UCE | 1 | C34 H35 N5 O3 | InChI=1S/C34H35N5O3/c1-2- 32(41)36-27-12-13-30-31(1 9-27)39(34(42)37-30)28-14 -16-38(17-15-28)21-23-8-1 0-26(11-9-23)33-29(18-24( 22-40)20-35-33)25-6-4-3-5 -7-25/h3-13,18-20,28,40H, 2,14-17,21-22H2,1H3,(H,36 ,41)(H,37,42); XYDKMXKWNYYJAT-UHFFFAOYSA-N |
CCC(=O)Nc1ccc2NC(=O)N(C3CCN(CC3)Cc4ccc(c c4)c5ncc(CO)cc5c6ccccc6)c2c1; CCC(=O)Nc1 ccc2c(c1)N(C(=O)N2)C3CCN(CC3)Cc4ccc(cc4) c5c(cc(cn5)CO)c6ccccc6 |
~{N}-[3-[1-[[4-[5-(hydroxymethyl)-3-phenyl-pyridin-2-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide |
| 39219 | UCF | 1 | C33 H38 Cl N O8 S | InChI=1S/C33H38ClNO8S/c1- 4-24(29-15-16-30(34)44-29 )32(38)35-17-6-5-10-25(35 )33(39)43-26(22-8-7-9-23( 19-22)42-20-31(36)37)13-1 1-21-12-14-27(40-2)28(18- 21)41-3/h7-9,12,14-16,18- 19,24-26H,4-6,10-11,13,17 ,20H2,1-3H3,(H,36,37)/t24 -,25+,26-/m1/s1; SRIRUOTUARWLRH-UODIDJSMSA-N |
CC[CH](C(=O)N1CCCC[CH]1C(=O)O[CH](CCc2cc c(OC)c(OC)c2)c3cccc(OCC(O)=O)c3)c4sc(Cl) cc4; CC[C@H](c1ccc(s1)Cl)C(=O)N2CCCC[C@H ]2C(=O)O[C@H](CCc3ccc(c(c3)OC)OC)c4cccc( c4)OCC(=O)O; CC[C@@H](C(=O)N1CCCC[C@H]1C (=O)O[C@H](CCc2ccc(OC)c(OC)c2)c3cccc(OCC (O)=O)c3)c4sc(Cl)cc4; CCC(c1ccc(s1)Cl)C( =O)N2CCCCC2C(=O)OC(CCc3ccc(c(c3)OC)OC)c4 cccc(c4)OCC(=O)O |
2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)butanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid |
| 39220 | UCG ZINC000222071831 |
8 | C19 H24 N7 O18 P3 | InChI=1S/C19H24N7O18P3/c2 0-18-23-14-9(15(29)24-18) 21-5-26(14)17-13-12(43-47 (36,37)44-13)7(41-17)4-39 -46(34,35)42-11-6(3-38-45 (31,32)33)40-16(10(11)28) 25-2-1-8(27)22-19(25)30/h 1-2,5-7,10-13,16-17,28H,3 -4H2,(H,34,35)(H,36,37)(H ,22,27,30)(H2,31,32,33)(H 3,20,23,24,29)/t6-,7-,10- ,11-,12-,13-,16-,17-/m1/s 1; UIVVUPHFWRPLKC-VMIOUTBZSA-N |
c1nc2c(n1C3C4C(C(O3)COP(=O)(O)OC5C(OC(C5 O)N6C=CC(=O)NC6=O)COP(=O)(O)O)OP(=O)(O4) O)N=C(NC2=O)N; O=P(O)(O)OCC6OC(N1C=CC(=O )NC1=O)C(O)C6OP(=O)(O)OCC4OC(n2c3N=C(N)N C(=O)c3nc2)C5OP(=O)(O)OC45; c1nc2c(n1[C@ H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O[C@@ H]5[C@H](O[C@H]([C@@H]5O)N6C=CC(=O)NC6=O )COP(=O)(O)O)OP(=O)(O4)O)N=C(NC2=O)N; NC 1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(= O)O[CH]4[CH](O)[CH](O[CH]4CO[P](O)(O)=O) N5C=CC(=O)NC5=O)[CH]6O[P](O)(=O)O[CH]36; NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P ](O)(=O)O[C@H]4[C@@H](O)[C@@H](O[C@@H]4C O[P](O)(O)=O)N5C=CC(=O)NC5=O)[C@H]6O[P]( O)(=O)O[C@@H]36 |
3'-O-[(R)-{[(2R,3aR,4R,6R,6aR)-6-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-hydroxy-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]uridine 5'-(dihydrogen phosphate) |
| 39221 | UCH ZINC000004482410 |
3 | C11 H14 N2 O2 | InChI=1S/C11H14N2O2/c14-1 1(15)9-3-7-13(8-4-9)10-1- 5-12-6-2-10/h1-2,5-6,9H,3 -4,7-8H2,(H,14,15); UISWRUUBFFHGLE-UHFFFAOYSA-N |
c1cnccc1N2CCC(CC2)C(=O)O; OC(=O)C1CCN(CC 1)c2ccncc2 |
1-pyridin-4-ylpiperidine-4-carboxylic acid |
| 39222 | UCI | 8 | C21 H23 F3 N2 O4 S | InChI=1S/C21H23F3N2O4S/c1 -2-31(28,29)26-13-16(15-6 -4-3-5-7-15)12-17(14-26)2 0(27)25-18-8-10-19(11-9-1 8)30-21(22,23)24/h3-11,16 -17H,2,12-14H2,1H3,(H,25, 27)/t16-,17-/m1/s1; BGPUEQUEKKTRNM-IAGOWNOFSA-N |
CC[S](=O)(=O)N1C[CH](C[CH](C1)c2ccccc2)C (=O)Nc3ccc(OC(F)(F)F)cc3; CC[S](=O)(=O)N 1C[C@@H](C[C@H](C1)c2ccccc2)C(=O)Nc3ccc( OC(F)(F)F)cc3; CCS(=O)(=O)N1C[C@@H](C[C@ H](C1)C(=O)Nc2ccc(cc2)OC(F)(F)F)c3ccccc3 ; CCS(=O)(=O)N1CC(CC(C1)C(=O)Nc2ccc(cc2) OC(F)(F)F)c3ccccc3; O=S(=O)(CC)N1CC(CC(C 1)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1 |
(3R,5S)-1-(ethanesulfonyl)-5-phenyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide (bound form) |
| 39223 | UCJ ZINC000001565221 |
5 | C4 H11 O3 P | InChI=1S/C4H11O3P/c1-4(2) 7-8(3,5)6/h4H,1-3H3,(H,5, 6); GHZKGHQGPXBWSN-UHFFFAOYSA-N |
O=P(OC(C)C)(O)C; CC(C)O[P](C)(O)=O; CC(C )OP(=O)(C)O |
propan-2-yl hydrogen (S)-methylphosphonate |
| 39224 | UCK ZINC000095920807 |
4 | C19 H18 Cl2 N2 O3 | InChI=1S/C19H18Cl2N2O3/c2 0-13-7-5-12(6-8-13)10-22- 18(25)17-9-14(24)11-23(17 )19(26)15-3-1-2-4-16(15)2 1/h1-8,14,17,24H,9-11H2,( H,22,25)/t14-,17+/m1/s1; POSPLUDREYFAQC-PBHICJAKSA-N |
O[CH]1C[CH](N(C1)C(=O)c2ccccc2Cl)C(=O)NC c3ccc(Cl)cc3; c1ccc(c(c1)C(=O)N2CC(CC2C( =O)NCc3ccc(cc3)Cl)O)Cl; c1ccc(c(c1)C(=O) N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)Cl)O)C l; O=C(c1ccccc1Cl)N3C(C(=O)NCc2ccc(Cl)cc 2)CC(O)C3; O[C@@H]1C[C@H](N(C1)C(=O)c2cc ccc2Cl)C(=O)NCc3ccc(Cl)cc3 |
(2S,4R)-1-(2-chlorophenyl)carbonyl-N-[(4-chlorophenyl)methyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
| 39225 | UCL CHEMBL1236538 |
0 | C9 H12 Cl N2 O8 P | InChI=1S/C9H12ClN2O8P/c10 -4-2-12(9(15)11-8(4)14)7- 1-5(13)6(20-7)3-19-21(16, 17)18/h2,5-7,13H,1,3H2,(H ,11,14,15)(H2,16,17,18)/t 5-,6+,7+/m0/s1; RBQXEHDSKLSKLJ-RRKCRQDMSA-N |
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C l)COP(=O)(O)O)O; O[C@H]1C[C@@H](O[C@@H]1 CO[P](O)(O)=O)N2C=C(Cl)C(=O)NC2=O; C1C(C (OC1N2C=C(C(=O)NC2=O)Cl)COP(=O)(O)O)O; C lC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O) (O)O; O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2 C=C(Cl)C(=O)NC2=O |
5-CHLORO-2'-DEOXYURIDINE 5'-(DIHYDROGEN PHOSPHATE) |
| 39226 | UCM CHEMBL289422 DB08683 ZINC000018183490 |
1 | C24 H15 N3 O3 | InChI=1S/C24H15N3O3/c28-2 3-19-17-11-5-1-3-7-13(11) 26-15-9-10-16(30-15)27-14 -8-4-2-6-12(14)18(22(27)2 1(17)26)20(19)24(29)25-23 /h1-8,15-16H,9-10H2,(H,25 ,28,29)/t15-,16+; OTPNDVKVEAIXTI-IYBDPMFKSA-N |
O=C1NC(=O)c2c1c3c4ccccc4n5[C@H]6CC[C@H]( O6)n7c8ccccc8c2c7c35; O=C1NC(=O)c2c1c3c4 ccccc4n5[CH]6CC[CH](O6)n7c8ccccc8c2c7c35 ; O=C5c4c2c3n(c1ccccc12)C8OC(n6c3c(c4C(= O)N5)c7ccccc67)CC8; c1ccc2c(c1)c3c4c(c5c 6ccccc6n7c5c3n2[C@H]8CC[C@@H]7O8)C(=O)NC 4=O; c1ccc2c(c1)c3c4c(c5c6ccccc6n7c5c3n2 C8CCC7O8)C(=O)NC4=O |
REL-(9R,12S)-9,10,11,12-TETRAHYDRO-9,12-EPOXY-1H-DIINDOLO[1,2,3-FG:3',2',1'-KL]PYRROLO[3,4-I][1,6]BENZODIAZOCINE-1,3(2H)-DIONE; SB218078 |
| 39227 | UCN CHEMBL1236539 DB01933 ZINC000003814435 |
5 | C28 H26 N4 O4 | InChI=1S/C28H26N4O4/c1-28 -25(35-3)15(29-2)12-18(36 -28)31-16-10-6-4-8-13(16) 19-21-22(27(34)30-26(21)3 3)20-14-9-5-7-11-17(14)32 (28)24(20)23(19)31/h4-11, 15,18,25,27,29,34H,12H2,1 -3H3,(H,30,33)/t15-,18-,2 5-,27-,28+/m1/s1; PBCZSGKMGDDXIJ-HQCWYSJUSA-N |
CN[CH]1C[CH]2O[C](C)([CH]1OC)n3c4ccccc4c 5c6[CH](O)NC(=O)c6c7c8ccccc8n2c7c35; O=C 5NC(O)c4c2c3n(c1ccccc12)C8(OC(n6c3c(c45) c7ccccc67)CC(NC)C8OC)C; C[C@@]12[C@@H]([ C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccc cc7c6c8c5C(=O)N[C@@H]8O)NC)OC; CN[C@@H]1 C[C@H]2O[C@@](C)([C@@H]1OC)n3c4ccccc4c5c 6[C@@H](O)NC(=O)c6c7c8ccccc8n2c7c35; CC1 2C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c 8c5C(=O)NC8O)NC)OC |
7-HYDROXYSTAUROSPORINE |
| 39228 | UCO | 1 | C40 H44 Cl N O11 S | InChI=1S/C40H44ClNO11S/c1 -47-30-15-13-24(19-31(30) 48-2)12-14-29(25-9-8-10-2 7(20-25)52-23-36(43)44)53 -40(46)28-11-6-7-18-42(28 )39(45)37(34-16-17-35(41) 54-34)26-21-32(49-3)38(51 -5)33(22-26)50-4/h8-10,13 ,15-17,19-22,28-29,37H,6- 7,11-12,14,18,23H2,1-5H3, (H,43,44)/t28-,29+,37+/m0 /s1; DJMQVDNYVWNBAD-DBWZWNDFSA-N |
COc1ccc(cc1OC)CCC(c2cccc(c2)OCC(=O)O)OC( =O)C3CCCCN3C(=O)C(c4ccc(s4)Cl)c5cc(c(c(c 5)OC)OC)OC; COc1ccc(cc1OC)CC[C@H](c2cccc (c2)OCC(=O)O)OC(=O)[C@@H]3CCCCN3C(=O)[C@ @H](c4ccc(s4)Cl)c5cc(c(c(c5)OC)OC)OC; CO c1ccc(CC[CH](OC(=O)[CH]2CCCCN2C(=O)[CH]( c3sc(Cl)cc3)c4cc(OC)c(OC)c(OC)c4)c5cccc( OCC(O)=O)c5)cc1OC; COc1ccc(CC[C@@H](OC(= O)[C@@H]2CCCCN2C(=O)[C@@H](c3sc(Cl)cc3)c 4cc(OC)c(OC)c(OC)c4)c5cccc(OCC(O)=O)c5)c c1OC |
2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid |
| 39229 | UCP ZINC000058639056 |
0 | C10 H17 N2 O13 P3 | InChI=1S/C10H17N2O13P3/c1 3-6-3-9(12-2-1-8(14)11-10 (12)15)24-7(6)4-23-28(21, 22)25-27(19,20)5-26(16,17 )18/h1-2,6-7,9,13H,3-5H2, (H,19,20)(H,21,22)(H,11,1 4,15)(H2,16,17,18)/t6-,7+ ,9+/m0/s1; LXPTZNQPTTZWKK-LKEWCRSYSA-N |
C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O )(CP(=O)(O)O)O)O; C1[C@@H]([C@H](O[C@H]1 N2C=CC(=O)NC2=O)CO[P@](=O)(O)O[P@@](=O)( CP(=O)(O)O)O)O; O[CH]1C[CH](O[CH]1CO[P]( O)(=O)O[P](O)(=O)C[P](O)(O)=O)N2C=CC(=O) NC2=O; O[C@H]1C[C@@H](O[C@@H]1CO[P@@](O) (=O)O[P@@](O)(=O)C[P](O)(O)=O)N2C=CC(=O) NC2=O; O=P(O)(O)CP(=O)(O)OP(=O)(O)OCC2OC (N1C(=O)NC(=O)C=C1)CC2O |
PHOSPHOMETHYL PHOSPHONIC ACID DEOXYURIDYLATE ESTER |
| 39230 | UCQ | 4 | C9 H15 N3 O2 | InChI=1S/C9H15N3O2/c1-11( 2)8(9(13)14)4-7-5-10-6-12 (7)3/h5-6,8H,4H2,1-3H3,(H ,13,14)/t8-/m0/s1; CWMBQCIYEIIZOY-QMMMGPOBSA-N |
Cn1cncc1CC(C(=O)O)N(C)C; CN(C)[C@@H](Cc1 cncn1C)C(O)=O; Cn1cncc1C[C@@H](C(=O)O)N( C)C; CN(C)[CH](Cc1cncn1C)C(O)=O |
(2~{S})-2-(dimethylamino)-3-(3-methylimidazol-4-yl)propanoic acid |
| 39231 | UCR | 0 | C74 H90 F N13 O16 | InChI=1S/C74H90FN13O16/c1 -43(2)65-48(26-27-60(92)7 6-29-12-17-44(3)35-52(90) 38-49(75)39-61-78-54(42-1 02-61)70(97)87-33-16-24-5 6(87)73(100)104-65)37-50- 41-85(83-82-50)31-14-22-5 3-69(96)86-32-15-23-55(86 )71(98)84(5)58(36-46-18-8 -6-9-19-46)72(99)88-34-28 -51(89)40-57(88)66(93)81- 63(47-20-10-7-11-21-47)74 (101)103-45(4)62(67(94)79 -53)80-68(95)64-59(91)25- 13-30-77-64/h6-13,17-21,2 5-27,30,35,41-43,45,48-49 ,51-53,55-58,62-63,65,89- 91H,14-16,22-24,28-29,31- 34,36-40H2,1-5H3,(H,76,92 )(H,79,94)(H,80,95)(H,81, 93)/b17-12+,27-26+,44-35+ /t45-,48+,49-,51-,52-,53- ,55+,56-,57+,58+,62+,63+, 65-/m1/s1; VRKSHVRYRFYAGE-KRRCSSGUSA-N |
O=C1NCC=CC(C)=CC(O)CC(F)Cc2nc(co2)C(=O)N 2CCCC2C(=O)OC(C(C)C)C(C=C1)Cc1cn(nn1)CCC C1NC(=O)C(NC(=O)c2ncccc2O)C(C)OC(=O)C(NC (=O)C2CC(O)CCN2C(=O)C(Cc2ccccc2)N(C)C(=O )C2CCCN2C1=O)c1ccccc1; CC1C(C(=O)NC(C(=O )N2CCCC2C(=O)N(C(C(=O)N3CCC(CC3C(=O)NC(C (=O)O1)c4ccccc4)O)Cc5ccccc5)C)CCCn6cc(nn 6)CC7C=CC(=O)NCC=CC(=CC(CC(Cc8nc(co8)C(= O)N9CCCC9C(=O)OC7C(C)C)F)O)C)NC(=O)c1c(c ccn1)O; C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O )N2CCC[C@H]2C(=O)N([C@H](C(=O)N3CC[C@H]( C[C@H]3C(=O)N[C@H](C(=O)O1)c4ccccc4)O)Cc 5ccccc5)C)CCCn6cc(nn6)C[C@@H]7/C=C/C(=O) NC/C=C/C(=C/[C@H](C[C@H](Cc8nc(co8)C(=O) N9CCC[C@@H]9C(=O)O[C@@H]7C(C)C)F)O)/C)NC (=O)c1c(cccn1)O; CC(C)[C@H]1OC(=O)[C@H]2 CCCN2C(=O)c3coc(C[C@H](F)C[C@H](O)/C=C(C )/C=C/CNC(=O)/C=C/[C@H]1Cc4cn(CCC[C@H]5N C(=O)[C@@H](NC(=O)c6ncccc6O)[C@@H](C)OC( =O)[C@@H](NC(=O)[C@@H]7C[C@H](O)CCN7C(=O )[C@H](Cc8ccccc8)N(C)C(=O)[C@@H]9CCCN9C5 =O)c%10ccccc%10)nn4)n3; CC(C)[CH]1OC(=O) [CH]2CCCN2C(=O)c3coc(C[CH](F)C[CH](O)C=C (C)C=CCNC(=O)C=C[CH]1Cc4cn(CCC[CH]5NC(=O )[CH](NC(=O)c6ncccc6O)[CH](C)OC(=O)[CH]( NC(=O)[CH]7C[CH](O)CCN7C(=O)[CH](Cc8cccc c8)N(C)C(=O)[CH]9CCCN9C5=O)c%10ccccc%10) nn4)n3 |
N-{(4R,6R,9S,10R,13S,15aS,17R,20R,22S,24aS)-22-benzyl-6-[3-(4-{[(3R,4R,5E,10E,12E,14S,16R,23R,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-3-(propan-2-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-4-yl]methyl}-1H-1,2,3-triazol-1-yl)propyl]-17-hydroxy-10,23-dimethyl-5,8,12,15,21,24-hexaoxo-13-phenyldocosahydro-12H-pyrido[2,1-f]pyrrolo[2,1-l][1,4,7,10,13,16]oxapentaazacyclononadecin-9-yl}-3-hydroxypyridine-2-carboxamide |
| 39232 | UCS | 0 | C22 H33 N3 O7 S | InChI=1S/C22H33N3O7S/c1-1 4(2)11-17(25-22(29)32-13- 15-7-5-4-6-8-15)20(27)24- 18(21(28)33(3,30)31)12-16 -9-10-23-19(16)26/h4-8,14 ,16-18,21,28H,3,9-13H2,1- 2H3,(H,23,26)(H,24,27)(H, 25,29)(H,30,31)/t16-,17-, 18-,21+/m0/s1; WSISUQMDONQTEG-RYLXDESZSA-N |
CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=C)(=O) O)NC(=O)OCc2ccccc2; c1ccccc1COC(NC(C(=O) NC(C(O)S(=O)(O)=C)CC2CCNC2=O)CC(C)C)=O; CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1= O)[C@H](O)S(=C)(=O)O)NC(=O)OCc2ccccc2; C C(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H] (C[C@@H]2CCNC2=O)[C@H](O)[S](O)(=C)=O; C C(C)C[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](C[ CH]2CCNC2=O)[CH](O)[S](O)(=C)=O |
N~2~-[(benzyloxy)carbonyl]-N-[(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-(trimethyl-lambda~4~-sulfanyl)propan-2-yl]-L-leucinamide |
| 39233 | UCT | 1 | C32 H36 Cl N O8 S | InChI=1S/C32H36ClNO8S/c1- 20(28-14-15-29(33)43-28)3 1(37)34-16-5-4-9-24(34)32 (38)42-25(22-7-6-8-23(18- 22)41-19-30(35)36)12-10-2 1-11-13-26(39-2)27(17-21) 40-3/h6-8,11,13-15,17-18, 20,24-25H,4-5,9-10,12,16, 19H2,1-3H3,(H,35,36)/t20- ,24+,25-/m1/s1; OIYSSIJKGXDGIE-DCEDVJGZSA-N |
C[C@H](c1ccc(s1)Cl)C(=O)N2CCCC[C@H]2C(=O )O[C@H](CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCC (=O)O; CC(c1ccc(s1)Cl)C(=O)N2CCCCC2C(=O) OC(CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCC(=O)O ; COc1ccc(CC[CH](OC(=O)[CH]2CCCCN2C(=O)[ CH](C)c3sc(Cl)cc3)c4cccc(OCC(O)=O)c4)cc1 OC; COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2 C(=O)[C@H](C)c3sc(Cl)cc3)c4cccc(OCC(O)=O )c4)cc1OC |
2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)propanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid |
| 39234 | UCU ZINC000001693559 |
2 | C4 H8 O3 | InChI=1S/C4H8O3/c1-2-3(5) 4(6)7/h3,5H,2H2,1H3,(H,6, 7)/t3-/m1/s1; AFENDNXGAFYKQO-GSVOUGTGSA-N |
CC[C@H](C(=O)O)O; CC[CH](O)C(O)=O; CC[C@ @H](O)C(O)=O; CCC(C(=O)O)O |
(2R)-2-oxidanylbutanoic acid; (R)-2-Hydroxybutanoic acid |
| 39235 | UCV | 0 | C6 H15 N3 O | InChI=1S/C6H15N3O/c1-4(2) 5(7)3-9-6(8)10/h4-5H,3,7H 2,1-2H3,(H3,8,9,10)/t5-/m 1/s1; GGSMGRSJKQIKLL-RXMQYKEDSA-N |
CC(C)C(CNC(=O)N)N; CC(C)[C@H](N)CNC(N)=O ; CC(C)[C@@H](CNC(=O)N)N; CC(C)[CH](N)CN C(N)=O |
1-[(2~{S})-2-azanyl-3-methyl-butyl]urea |
| 39236 | UCW CHEMBL3824089 ZINC000653884606 |
1 | C26 H38 N8 O3 | InChI=1S/C26H38N8O3/c1-26 (2,3)37-25(35)30-19-8-7-1 7(15-20(19)36-6)22-21-23( 27)28-16-29-24(21)34(31-2 2)14-13-33-11-9-18(10-12- 33)32(4)5/h7-8,15-16,18H, 9-14H2,1-6H3,(H,30,35)(H2 ,27,28,29); GMPQGWXPDRNCBL-UHFFFAOYSA-N |
CC(C)(C)OC(=O)Nc1ccc(cc1OC)c2c3c(ncnc3n( n2)CCN4CCC(CC4)N(C)C)N; COc1cc(ccc1NC(=O )OC(C)(C)C)c2nn(CCN3CCC(CC3)N(C)C)c4ncnc (N)c24 |
tert-butyl (4-(4-amino-1-(2-(4-(dimethylamino)piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)carbamate; ~{tert}-butyl ~{N}-[4-[4-azanyl-1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]carbamate |
| 39237 | UCX | 0 | C30 H38 F N3 O6 | InChI=1S/C30H38FN3O6/c1-5 -8-21-11-12-26(36)32-13-6 -9-20(4)15-23(35)16-22(31 )17-27-33-24(18-39-27)29( 37)34-14-7-10-25(34)30(38 )40-28(21)19(2)3/h1,6,9,1 1-12,15,18-19,21-23,25,28 ,35H,7-8,10,13-14,16-17H2 ,2-4H3,(H,32,36)/b9-6+,12 -11+,20-15+/t21-,22-,23-, 25-,28-/m1/s1; ZFRIDGLVADEYAZ-CLECSTCYSA-N |
CC(C)[CH]1OC(=O)[CH]2CCCN2C(=O)c3coc(C[C H](F)C[CH](O)C=C(C)C=CCNC(=O)C=C[CH]1CC# C)n3; CC(C)[C@H]1OC(=O)[C@H]2CCCN2C(=O)c 3coc(C[C@H](F)C[C@H](O)/C=C(C)/C=C/CNC(= O)/C=C/[C@H]1CC#C)n3; CC1=CC(CC(Cc2nc(co 2)C(=O)N3CCCC3C(=O)OC(C(C=CC(=O)NCC=C1)C C#C)C(C)C)F)O; C/C/1=C\[C@H](C[C@H](Cc2n c(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]([C@@ H](/C=C/C(=O)NC\C=C1)CC#C)C(C)C)F)O; CC( C)C1OC(=O)C2CCCN2C(=O)c2nc(oc2)CC(F)CC(O )C=C(C)C=CCNC(=O)C=CC1CC#C |
(3R,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-yn-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione |
| 39238 | UCY | 4 | C8 H17 O2 P | InChI=1S/C8H17O2P/c1-8(2) 6-4-5-7(8)10-11(3)9/h7,11 H,4-6H2,1-3H3/t7-/m0/s1; GJIHMVVDUGLKHR-ZETCQYMHSA-N |
CC1(CCCC1OP(=O)C)C; CC1(CCC[C@@H]1O[P@H] (=O)C)C; C[PH](=O)O[CH]1CCCC1(C)C; C[P@H ](=O)O[C@H]1CCCC1(C)C; CP(=O)OC1C(C)(CCC 1)C |
(1S)-2,2-dimethylcyclopentyl (R)-methylphosphinate; 2,2-dimethylcyclopentyl methylphosphinate |
| 39239 | UCZ CHEMBL261837 ZINC000005353901 |
1 | C15 H18 Cl N3 O | InChI=1S/C15H18ClN3O/c1-1 5(2,3)14(20)13(19-10-17-9 -18-19)8-11-4-6-12(16)7-5 -11/h4-10,14,20H,1-3H3/b1 3-8+/t14-/m1/s1; YNWVFADWVLCOPU-MAUPQMMJSA-N |
CC(C)(C)[C@H](O)\C(=C/c1ccc(Cl)cc1)n2cnc n2; CC(C)(C)C(C(=Cc1ccc(cc1)Cl)n2cncn2)O ; CC(C)(C)[C@@H](/C(=C\c1ccc(cc1)Cl)/n2c ncn2)O; CC(C)(C)[CH](O)C(=Cc1ccc(Cl)cc1) n2cncn2; CC(C)(C)C(C(n1cncn1)=[C@H]c2ccc (cc2)Cl)O |
(1E,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol |
| 39240 | UD0 ZINC000263620550 |
4 | C25 H34 N5 O22 P3 | InChI=1S/C25H34N5O22P3/c1 -9-17(33)12(11(5-26-9)7-4 7-53(40,41)42)6-27-15-16( 28-10(2)31)24(50-21(19(15 )35)23(37)38)51-55(45,46) 52-54(43,44)48-8-13-18(34 )20(36)22(49-13)30-4-3-14 (32)29-25(30)39/h3-6,13,1 5-16,18-22,24,33-36H,7-8H 2,1-2H3,(H,28,31)(H,37,38 )(H,43,44)(H,45,46)(H,29, 32,39)(H2,40,41,42)/b27-6 +/t13-,15+,16+,18-,19-,20 -,21-,22+,24+/m0/s1; IGKBPIFLZAFLLV-VUZHIUKYSA-N |
CC(=O)N[C@H]1[C@H](O[C@@H]([C@@H](O)[C@@ H]1N=Cc2c(O)c(C)ncc2CO[P](O)(O)=O)C(O)=O )O[P](O)(=O)O[P](O)(=O)OC[C@@H]3O[C@H]([ C@@H](O)[C@H]3O)N4C=CC(=O)NC4=O; Cc1c(c( c(cn1)COP(=O)(O)O)C=NC2C(C(OC(C2O)C(=O)O )OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=CC(= O)NC4=O)O)O)NC(=O)C)O; Cc1c(c(c(cn1)COP( =O)(O)O)/C=N/[C@@H]2[C@H]([C@H](O[C@@H]( [C@H]2O)C(=O)O)O[P@](=O)(O)O[P@@](=O)(O) OC[C@H]3[C@@H]([C@@H]([C@@H](O3)N4C=CC(= O)NC4=O)O)O)NC(=O)C)O; O=C1C=CN(C(=O)N1) C2OC(C(O)C2O)COP(=O)(OP(=O)(OC4OC(C(=O)O )C(O)C(/N=C/c3c(cnc(c3O)C)COP(=O)(O)O)C4 NC(=O)C)O)O; CC(=O)N[CH]1[CH](O[CH]([CH] (O)[CH]1N=Cc2c(O)c(C)ncc2CO[P](O)(O)=O)C (O)=O)O[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH] ([CH](O)[CH]3O)N4C=CC(=O)NC4=O |
(2S,3S,4R,5R,6R)-5-(acetylamino)-6-{[(S)-{[(S)-{[(2S,3R,4S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxy-4-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}tetrahydro-2H-pyran-2-carboxylic acid |
| 39241 | UD1 CHEMBL388154 DB03397 ZINC000008551100 |
236 | C17 H27 N3 O17 P2 | InChI=1S/C17H27N3O17P2/c1 -6(22)18-10-13(26)11(24)7 (4-21)35-16(10)36-39(31,3 2)37-38(29,30)33-5-8-12(2 5)14(27)15(34-8)20-3-2-9( 23)19-17(20)28/h2-3,7-8,1 0-16,21,24-27H,4-5H2,1H3, (H,18,22)(H,29,30)(H,31,3 2)(H,19,23,28)/t7-,8-,10- ,11-,12-,13-,14-,15-,16-/ m1/s1; LFTYTUAZOPRMMI-CFRASDGPSA-N |
CC(=O)NC1C(C(C(OC1OP(=O)(O)OP(=O)(O)OCC2 C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)O; CC( =O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P ](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[ CH]2O)N3C=CC(=O)NC3=O; O=P(OC1OC(C(O)C(O )C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC( =O)NC2=O)C(O)C3O; CC(=O)N[C@@H]1[C@@H](O )[C@H](O)[C@@H](CO)O[C@@H]1O[P@](O)(=O)O [P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H] 2O)N3C=CC(=O)NC3=O; CC(=O)N[C@@H]1[C@H]( [C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@] (=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3 C=CC(=O)NC3=O)O)O)CO)O)O |
URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE |
| 39242 | UD2 DB02196 ZINC000008551132 |
57 | C17 H27 N3 O17 P2 | InChI=1S/C17H27N3O17P2/c1 -6(22)18-10-13(26)11(24)7 (4-21)35-16(10)36-39(31,3 2)37-38(29,30)33-5-8-12(2 5)14(27)15(34-8)20-3-2-9( 23)19-17(20)28/h2-3,7-8,1 0-16,21,24-27H,4-5H2,1H3, (H,18,22)(H,29,30)(H,31,3 2)(H,19,23,28)/t7-,8-,10- ,11+,12-,13-,14-,15-,16-/ m1/s1; LFTYTUAZOPRMMI-NESSUJCYSA-N |
CC(=O)NC1C(C(C(OC1OP(=O)(O)OP(=O)(O)OCC2 C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)O; CC( =O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P ](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[ CH]2O)N3C=CC(=O)NC3=O; O=P(OC1OC(C(O)C(O )C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC( =O)NC2=O)C(O)C3O; CC(=O)N[C@@H]1[C@@H](O )[C@@H](O)[C@@H](CO)O[C@@H]1O[P@](O)(=O) O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H ]2O)N3C=CC(=O)NC3=O; CC(=O)N[C@@H]1[C@H] ([C@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@] (=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3 C=CC(=O)NC3=O)O)O)CO)O)O |
URIDINE-DIPHOSPHATE-N-ACETYLGALACTOSAMINE; (2R,3R,4R,5R,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate |
| 39243 | UD4 ZINC000056871102 |
2 | C17 H28 N4 O15 P2 | InChI=1S/C17H28N4O15P2/c1 -6-10(18)13(25)11(19-7(2) 22)16(33-6)35-38(30,31)36 -37(28,29)32-5-8-12(24)14 (26)15(34-8)21-4-3-9(23)2 0-17(21)27/h3-4,6,8,10-16 ,24-26H,5,18H2,1-2H3,(H,1 9,22)(H,28,29)(H,30,31)(H ,20,23,27)/t6-,8-,10-,11- ,12-,13+,14-,15-,16-/m1/s 1; FUUMLYWEEZBCQR-UINYWEPJSA-N |
C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@ @](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H ]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C) O)N; CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC 2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O) N; C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[ CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O) [CH](NC(C)=O)[CH](O)[CH]1N; C[C@H]1O[C@H ](O[P@](O)(=O)O[P@@](O)(=O)OC[C@H]2O[C@H ]([C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O)[C@H] (NC(C)=O)[C@@H](O)[C@@H]1N; O=P(OC1OC(C( N)C(O)C1NC(=O)C)C)(O)OP(=O)(O)OCC3OC(N2C =CC(=O)NC2=O)C(O)C3O |
UDP-2-acetamido-4-amino-2,4,6-trideoxy-alpha-D-glucopyranose; (2R,3R,4S,5S,6R)-3-(acetylamino)-5-amino-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl |
| 39244 | UD5 ZINC000058649711 |
0 | C9 H12 F N2 O8 P | InChI=1S/C9H12FN2O8P/c10- 3-1-12(9(16)11-7(3)15)8-6 (14)5(13)4(20-8)2-19-21(1 7)18/h1,4-6,8,13-14,17-18 H,2H2,(H,11,15,16)/t4-,5- ,6-,8-/m1/s1; OWIMOOFVTCJDCZ-UAKXSSHOSA-N |
C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C @H](O2)COP(O)O)O)O)F; O[CH]1[CH](O)[CH]( O[CH]1COP(O)O)N2C=C(F)C(=O)NC2=O; C1=C(C (=O)NC(=O)N1C2C(C(C(O2)COP(O)O)O)O)F; O[ C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)O)N2C =C(F)C(=O)NC2=O; FC=1C(=O)NC(=O)N(C=1)C2 OC(C(O)C2O)COP(O)O |
5-FLUOROURIDINE |
| 39245 | UD6 ZINC000066166300 |
4 | C18 H28 N2 O17 P2 | InChI=1S/C18H28N2O17P2/c1 -7(22)4-8-12(24)13(25)9(5 -21)35-17(8)36-39(31,32)3 7-38(29,30)33-6-10-14(26) 15(27)16(34-10)20-3-2-11( 23)19-18(20)28/h2-3,8-10, 12-17,21,24-27H,4-6H2,1H3 ,(H,29,30)(H,31,32)(H,19, 23,28)/t8-,9-,10-,12-,13+ ,14-,15-,16-,17-/m1/s1; ODPRJDNNGDXFOQ-YIUJVFLPSA-N |
O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP (=O)(OC3OC(C(O)C(O)C3CC(=O)C)CO)O)O; CC( =O)C[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P ](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[ CH]2O)N3C=CC(=O)NC3=O; CC(=O)C[C@@H]1[C@ @H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O[P](O) (=O)O[P](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C @@H]2O)N3C=CC(=O)NC3=O; CC(=O)C[C@@H]1[C @H]([C@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)( O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC( =O)NC3=O)O)O)CO)O)O; CC(=O)CC1C(C(C(OC1O P(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O) NC3=O)O)O)CO)O)O |
[[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3-(2-oxidanylidenepropyl)oxan-2-yl] hydrogen phosphate; UDP-2-ketoGlc |
| 39246 | UD7 ZINC000056871098 |
2 | C17 H25 N3 O16 P2 | InChI=1S/C17H25N3O16P2/c1 -6-11(23)13(25)10(18-7(2) 21)16(33-6)35-38(30,31)36 -37(28,29)32-5-8-12(24)14 (26)15(34-8)20-4-3-9(22)1 9-17(20)27/h3-4,6,8,10,12 -16,24-26H,5H2,1-2H3,(H,1 8,21)(H,28,29)(H,30,31)(H ,19,22,27)/t6-,8-,10-,12- ,13-,14-,15-,16-/m1/s1; XBILTLYIKDPORV-HZUXRPHDSA-N |
C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH] 2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH ](NC(C)=O)[CH](O)C1=O; C[C@H]1O[C@H](O[P ](O)(=O)O[P](O)(=O)OC[C@H]2O[C@H]([C@H]( O)[C@@H]2O)N3C=CC(=O)NC3=O)[C@H](NC(C)=O )[C@@H](O)C1=O; O=C1C=CN(C(=O)N1)C2OC(C( O)C2O)COP(=O)(OP(=O)(OC3OC(C(=O)C(O)C3NC (=O)C)C)O)O; C[C@@H]1C(=O)[C@@H]([C@H]([ C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H] ([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC( =O)C)O; CC1C(=O)C(C(C(O1)OP(=O)(O)OP(=O) (O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)NC(= O)C)O |
|
| 39247 | UD8 | 1 | C24 H36 N6 O6 S | InChI=1S/C24H36N6O6S/c1-2 4(2)35-21-16-29(15-20(31) 22(21)36-24)11-5-3-4-6-12 -30-14-18(27-28-30)13-26- 23(32)17-7-9-19(10-8-17)3 7(25,33)34/h7-10,14,20-22 ,31H,3-6,11-13,15-16H2,1- 2H3,(H,26,32)(H2,25,33,34 )/t20-,21+,22+/m1/s1; YZQOVKMHWZRLSA-FSSWDIPSSA-N |
CC1(OC2CN(CC(C2O1)O)CCCCCCn3cc(nn3)CNC(= O)c4ccc(cc4)S(=O)(=O)N)C; CC1(O[C@H]2CN( C[C@H]([C@@H]2O1)O)CCCCCCn3cc(nn3)CNC(=O )c4ccc(cc4)S(=O)(=O)N)C; CC1(C)O[C@H]2CN (CCCCCCn3cc(CNC(=O)c4ccc(cc4)[S](N)(=O)= O)nn3)C[C@@H](O)[C@@H]2O1; CC1(C)O[CH]2C N(CCCCCCn3cc(CNC(=O)c4ccc(cc4)[S](N)(=O) =O)nn3)C[CH](O)[CH]2O1 |
N-((1-(6-((3aR,7R,7aS)-7-hydroxy-2,2-dimethyltetrahydro-[1,3]dioxolo[4,5-c]pyridin-5(4H)-yl)hexyl)-1H-1,2,3-triazol-4-yl)methyl)-4-sulfamoylbenzamide; ~{N}-[[1-[6-[(3~{a}~{S},7~{R},7~{a}~{S})-2,2-dimethyl-7-oxidanyl-4,6,7,7~{a}-tetrahydro-3~{a}~{H}-[1,3]dioxolo[4,5-c]pyridin-5-yl]hexyl]-1,2,3-triazol-4-yl]methyl]-4-sulfamoyl-benzamide |
| 39248 | UD9 ZINC000008551319 |
3 | C17 H27 N3 O17 P2 | InChI=1S/C17H27N3O17P2/c1 -6(22)18-10-13(26)11(24)7 (4-21)35-16(10)36-39(31,3 2)37-38(29,30)33-5-8-12(2 5)14(27)15(34-8)20-3-2-9( 23)19-17(20)28/h2-3,7-8,1 0-16,21,24-27H,4-5H2,1H3, (H,18,22)(H,29,30)(H,31,3 2)(H,19,23,28)/t7-,8-,10+ ,11-,12-,13-,14-,15-,16-/ m1/s1; LFTYTUAZOPRMMI-ZYQOOJPVSA-N |
CC(=O)NC1C(C(C(OC1OP(=O)(O)OP(=O)(O)OCC2 C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)O; CC( =O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP( =O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@ H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O; O=C1C= CN(C(=O)N1)C1OC(COP(=O)(O)OP(=O)(O)OC2OC (CO)C(O)C(O)C2NC(C)=O)C(O)C1O; CC(=O)N[C H]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P](O)(= O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O) N3C=CC(=O)NC3=O; CC(=O)N[C@H]1[C@@H](O)[ C@H](O)[C@@H](CO)O[C@@H]1O[P](O)(=O)O[P] (O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N 3C=CC(=O)NC3=O |
(2R,3S,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name); UDP-N-acetyl-alpha-D-mannosamine |
| 39249 | UDA CHEMBL1236544 DB04174 ZINC000095543621 |
16 | C20 H32 N3 O23 P3 | InChI=1S/C20H32N3O23P3/c1 -7(25)21-11-15(43-20(2,18 (30)31)45-47(33,34)35)13( 28)8(5-24)42-17(11)44-49( 38,39)46-48(36,37)40-6-9- 12(27)14(29)16(41-9)23-4- 3-10(26)22-19(23)32/h3-4, 8-9,11-17,24,27-29H,5-6H2 ,1-2H3,(H,21,25)(H,30,31) (H,36,37)(H,38,39)(H,22,2 6,32)(H2,33,34,35)/t8-,9- ,11-,12-,13-,14-,15-,16-, 17-,20+/m1/s1; NLBIPGBVVPCESQ-BVDGEXFOSA-N |
CC(=O)N[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C @@H]1O[C@@](C)(O[P](O)(O)=O)C(O)=O)O[P@] (O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H]( O)[C@@H]2O)N3C=CC(=O)NC3=O; O=P(OC1OC(C( O)C(OC(OP(=O)(O)O)(C(=O)O)C)C1NC(=O)C)CO )(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O) C3O; CC(=O)NC1C(C(C(OC1OP(=O)(O)OP(=O)(O )OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)O C(C)(C(=O)O)OP(=O)(O)O; CC(=O)N[CH]1[CH] (O[CH](CO)[CH](O)[CH]1O[C](C)(O[P](O)(O) =O)C(O)=O)O[P](O)(=O)O[P](O)(=O)OC[CH]2O [CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O; CC(= O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P @@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C @H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O [C@](C)(C(=O)O)OP(=O)(O)O |
3'-1-CARBOXY-1-PHOSPHONOOXY-ETHOXY-URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE |
| 39250 | UDB ZINC000069059999 |
1 | C21 H30 F2 N4 O4 | InChI=1S/C21H30F2N4O4/c1- 21(2,3)18(25-20(30)24-16- 9-14(22)8-15(23)10-16)19( 29)27(12-17(28)26-31)11-1 3-6-4-5-7-13/h8-10,13,18, 31H,4-7,11-12H2,1-3H3,(H, 26,28)(H2,24,25,30)/t18-/ m1/s1; AJAVBMXPKQJMJH-GOSISDBHSA-N |
CC(C)(C)C(C(=O)N(CC1CCCC1)CC(=O)NO)NC(=O )Nc2cc(cc(c2)F)F; CC(C)(C)[C@H](NC(=O)Nc 1cc(F)cc(F)c1)C(=O)N(CC2CCCC2)CC(=O)NO; CC(C)(C)[CH](NC(=O)Nc1cc(F)cc(F)c1)C(=O) N(CC2CCCC2)CC(=O)NO; CC(C)(C)[C@@H](C(=O )N(CC1CCCC1)CC(=O)NO)NC(=O)Nc2cc(cc(c2)F )F; Fc1cc(cc(F)c1)NC(=O)NC(C(=O)N(CC(=O) NO)CC2CCCC2)C(C)(C)C |
(S)-N-(cyclopentylmethyl)-2-(3-(3,5-difluorophenyl)ureido)-N-(2-(hydroxyamino)-2-oxoethyl)-3,3-dimethylbutanamide |
| 39251 | UDC ZINC000098209492 |
4 | C13 H23 N O10 | InChI=1S/C13H23NO10/c1-5( 17)14-8-10(9(19)6(3-15)23 -11(8)20)24-13(2,12(21)22 )7(18)4-16/h6-11,15-16,18 -20H,3-4H2,1-2H3,(H,14,17 )(H,21,22)/t6-,7+,8-,9-,1 0-,11+,13+/m1/s1; NSPVGDAWQINIKU-TXJFNNIZSA-N |
CC(=O)NC1C(C(C(OC1O)CO)O)OC(C)(C(CO)O)C( =O)O; O=C(O)C(OC1C(O)C(OC(O)C1NC(=O)C)CO )(C)C(O)CO; CC(=O)N[CH]1[CH](O)O[CH](CO) [CH](O)[CH]1O[C](C)([CH](O)CO)C(O)=O; CC (=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[ C@@H]1O[C@@](C)([C@@H](O)CO)C(O)=O; CC(= O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)C O)O)O[C@@](C)([C@H](CO)O)C(=O)O |
2-acetamido-3-O-[(2S,3S)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-alpha-D-glucopyranose; 2-(acetylamino)-3-O-[(2S,3S)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-alpha-D-glucopyranose; N-acetyl-3-O-[(2S,3S)-2-carboxy-3,4-dihydroxybutan-2-yl]-alpha-D-glucosamine; 2-acetamido-3-O-[(2S,3S)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-alpha-D-glucose; 2-acetamido-3-O-[(2S,3S)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-D-glucose; 2-acetamido-3-O-[(2S,3S)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-glucose |
| 39252 | UDD CHEMBL3104375 ZINC000095920787 |
1 | C23 H20 F6 N4 | InChI=1S/C23H20F6N4/c24-2 2(25,26)16-3-6-18(7-4-16) 33(20-2-1-11-30-15-20)19- 9-12-32(13-10-19)21-8-5-1 7(14-31-21)23(27,28)29/h1 -8,11,14-15,19H,9-10,12-1 3H2; XCJMUIWIEQFAQX-UHFFFAOYSA-N |
FC(F)(F)c1ccc(cc1)N(c2cccnc2)C4CCN(c3ncc (cc3)C(F)(F)F)CC4; FC(F)(F)c1ccc(cc1)N(C 2CCN(CC2)c3ccc(cn3)C(F)(F)F)c4cccnc4; c1 cc(cnc1)N(c2ccc(cc2)C(F)(F)F)C3CCN(CC3)c 4ccc(cn4)C(F)(F)F |
N-[4-(trifluoromethyl)phenyl]-N-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]pyridin-3-amine |
| 39253 | UDE CHEMBL4643353 |
1 | C20 H24 N8 O7 S | InChI=1S/C20H24N8O7S/c1-1 1-8-27(20(32)24-18(11)30) 17-6-15(16(10-29)35-17)28 -9-13(25-26-28)7-22-19(31 )23-12-3-2-4-14(5-12)36(2 1,33)34/h2-5,8-9,15-17,29 H,6-7,10H2,1H3,(H2,21,33, 34)(H2,22,23,31)(H,24,30, 32)/t15-,16+,17+/m0/s1; JDLXXAQKDPZINZ-GVDBMIGSSA-N |
CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)n3cc(nn3) CNC(=O)Nc4cccc(c4)S(=O)(=O)N; CC1=CN([CH ]2C[CH]([CH](CO)O2)n3cc(CNC(=O)Nc4cccc(c 4)[S](N)(=O)=O)nn3)C(=O)NC1=O; CC1=CN(C( =O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)n3cc( nn3)CNC(=O)Nc4cccc(c4)S(=O)(=O)N; CC1=CN ([C@H]2C[C@@H]([C@@H](CO)O2)n3cc(CNC(=O) Nc4cccc(c4)[S](N)(=O)=O)nn3)C(=O)NC1=O |
3-(3-((1-(2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)-1H-1,2,3-triazol-4-yl)methyl)ureido)benzenesulfonamide; 1-[[1-[(2~{S},3~{S},5~{R})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methyl]-3-(3-sulfamoylphenyl)urea |
| 39254 | UDF | 0 | C43 H51 N10 O10 | InChI=1S/C43H51N10O10/c1- 25-34(48-39(58)36-33(55)1 6-9-19-45-36)38(57)47-29( 17-20-46-50-44)40(59)52-2 1-10-15-30(52)41(60)51(2) 32(23-26-11-5-3-6-12-26)4 2(61)53-22-18-28(54)24-31 (53)37(56)49-35(43(62)63- 25)27-13-7-4-8-14-27/h3-9 ,11-14,16,19,25,28-32,34- 35,44,54-55H,10,15,17-18, 20-24H2,1-2H3,(H,47,57)(H ,48,58)(H,49,56)/t25-,28- ,29-,30+,31+,32+,34+,35+/ m1/s1; GGUGHAXGYRHUOM-RILDDUCRSA-N |
C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C @H]2C(=O)N([C@H](C(=O)N3CC[C@H](C[C@H]3C (=O)N[C@H](C(=O)O1)c4ccccc4)O)Cc5ccccc5) C)CCN=[N]=N)NC(=O)c6c(cccn6)O; C[CH]1OC( =O)[CH](NC(=O)[CH]2C[CH](O)CCN2C(=O)[CH] (Cc3ccccc3)N(C)C(=O)[CH]4CCCN4C(=O)[CH]( CCN=[N]=N)NC(=O)[CH]1NC(=O)c5ncccc5O)c6c cccc6; C[C@H]1OC(=O)[C@@H](NC(=O)[C@@H]2 C[C@H](O)CCN2C(=O)[C@H](Cc3ccccc3)N(C)C( =O)[C@@H]4CCCN4C(=O)[C@@H](CCN=[N]=N)NC( =O)[C@H]1NC(=O)c5ncccc5O)c6ccccc6; CC1C( C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)N3CCC( CC3C(=O)NC(C(=O)O1)c4ccccc4)O)Cc5ccccc5) C)CCN=[N]=N)NC(=O)c6c(cccn6)O |
~{N}-[(3~{S},6~{S},12~{R},15~{S},16~{R},19~{S},22~{S},24~{R})-12-[2-[(azanylidene-$l^{4}-azanylidene)amino]ethyl]-4,16-dimethyl-24-oxidanyl-2,5,11,14,18,21-hexakis(oxidanylidene)-19-phenyl-3-(phenylmethyl)-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.0^{6,10}]hexacosan-15-yl]-3-oxidanyl-pyridine-2-carboxamide |
| 39255 | UDG | 1 | C43 H77 N3 O20 P2 | InChI=1S/C43H77N3O20P2/c1 -3-5-7-9-11-13-15-17-19-2 1-29(48)25-34(51)44-36-40 (64-35(52)26-30(49)22-20- 18-16-14-12-10-8-6-4-2)38 (54)31(27-47)63-42(36)65- 68(59,60)66-67(57,58)61-2 8-32-37(53)39(55)41(62-32 )46-24-23-33(50)45-43(46) 56/h23-24,29-32,36-42,47- 49,53-55H,3-22,25-28H2,1- 2H3,(H,44,51)(H,57,58)(H, 59,60)(H,45,50,56)/t29-,3 0-,31-,32-,36-,37-,38-,39 -,40-,41-,42-/m1/s1; KOJCFMYSTWNMQW-RUAJDYCTSA-N |
CCCCCCCCCCCC(CC(=O)NC1C(C(C(OC1OP(=O)(O) OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O) O)CO)O)OC(=O)CC(CCCCCCCCCCC)O)O; CCCCCCC CCCC[CH](O)CC(=O)N[CH]1[CH](O[CH](CO)[CH ](O)[CH]1OC(=O)C[CH](O)CCCCCCCCCCC)O[P]( O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH ]2O)N3C=CC(=O)NC3=O; O=C1C=CN(C(=O)N1)C2 OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(OC (=O)CC(O)CCCCCCCCCCC)C3NC(=O)CC(O)CCCCCC CCCCC)CO)O)O; CCCCCCCCCCC[C@@H](O)CC(=O) N[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O C(=O)C[C@H](O)CCCCCCCCCCC)O[P](O)(=O)O[P ](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O) N3C=CC(=O)NC3=O; CCCCCCCCCCC[C@H](CC(=O) N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@] (=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H] ([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(= O)C[C@@H](CCCCCCCCCCC)O)O |
(2R,3R,4R,5S,6R)-2-{[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[(3R)-3-hydroxytetradecanoyl]amino}tetrahydro-2H-pyran-4-yl (3R)-3-hydroxytetradecanoate |
| 39256 | UDH DB02696 ZINC000013523996 |
25 | C15 H27 N3 O12 P2 | InChI=1S/C15H27N3O12P2/c1 6-6-3-1-2-4-8-27-31(23,24 )30-32(25,26)28-9-10-12(2 0)13(21)14(29-10)18-7-5-1 1(19)17-15(18)22/h5,7,10, 12-14,20-21H,1-4,6,8-9,16 H2,(H,23,24)(H,25,26)(H,1 7,19,22)/t10-,12-,13-,14- /m1/s1; MLWJBKPFDKRHBM-FMKGYKFTSA-N |
C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP (=O)(O)OCCCCCCN)O)O; O=P(O)(OCCCCCCN)OP( =O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O; C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@ H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OCCCCCC N)O)O; NCCCCCCO[P](O)(=O)O[P](O)(=O)OC[C H]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O; NCCCCCCO[P](O)(=O)O[P](O)(=O)OC[C@H]1O[C @H]([C@H](O)[C@@H]1O)N2C=CC(=O)NC2=O |
6-AMINOHEXYL-URIDINE-C1,5'-DIPHOSPHATE |
| 39257 | UDI ZINC000003860245 |
1 | C4 H10 S2 | InChI=1S/C4H10S2/c5-3-1-2 -4-6/h5-6H,1-4H2; SMTOKHQOVJRXLK-UHFFFAOYSA-N |
SCCCCS; C(CCS)CS | butane-1,4-dithiol; 1,2-dithiane 1-oxide (reacted) |
| 39258 | UDJ ZINC000003797551 |
4 | C24 H31 N O | InChI=1S/C24H31NO/c1-23-1 1-9-18(26)14-17(23)5-6-19 -21-8-7-20(16-4-3-13-25-1 5-16)24(21,2)12-10-22(19) 23/h3-4,7,13,15,17,19,21- 22H,5-6,8-12,14H2,1-2H3/t 17-,19-,21-,22-,23-,24+/m 0/s1; FKNZCFYWNHCQGE-IRMBCWQZSA-N |
CC12CCC(=O)CC1CCC3C2CCC4(C3CC=C4c5cccnc5 )C; C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H ]2CC[C@@]4(C)[C@H]3CC=C4c5cccnc5; C[C]12 CCC(=O)C[CH]1CC[CH]3[CH]2CC[C]4(C)[CH]3C C=C4c5cccnc5; c1ccncc1C=4C3(CCC5C2(CCC(= O)CC2CCC5C3CC=4)C)C; C[C@]12CCC(=O)C[C@@ H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5 cccnc5)C |
(5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-one |
| 39259 | UDK | 1 | C25 H36 N6 O2 | InChI=1S/C25H36N6O2/c1-19 -8-12-30(13-9-19)15-20-4- 6-21(7-5-20)24(32)27-16-2 5(33)10-3-11-31(17-25)23- 14-22(26-2)28-18-29-23/h4 -7,14,18-19,33H,3,8-13,15 -17H2,1-2H3,(H,27,32)(H,2 6,28,29)/t25-/m1/s1; WWAIRFCQIINAHC-RUZDIDTESA-N |
CC1CCN(CC1)Cc2ccc(cc2)C(=O)NC[C@@]3(CCCN (C3)c4cc(ncn4)NC)O; CNc1cc(ncn1)N2CCC[C@ @](O)(CNC(=O)c3ccc(CN4CCC(C)CC4)cc3)C2; CC1CCN(CC1)Cc2ccc(cc2)C(=O)NCC3(CCCN(C3) c4cc(ncn4)NC)O; CNc1cc(ncn1)N2CCC[C](O)( CNC(=O)c3ccc(CN4CCC(C)CC4)cc3)C2 |
(R)-N-((3-hydroxy-1-(6-(methylamino)pyrimidin-4-yl)piperidin-3-yl)methyl)-4-((4-methylpiperidin-1-yl)methyl)benzamide; ~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide |
| 39260 | UDM CHEMBL596137 ZINC000016051788 |
3 | C18 H29 N3 O16 P2 | InChI=1S/C18H29N3O16P2/c1 -7(23)19-12-10(35-8(4-22) 13(25)15(12)27)6-38(30,31 )37-39(32,33)34-5-9-14(26 )16(28)17(36-9)21-3-2-11( 24)20-18(21)29/h2-3,8-10, 12-17,22,25-28H,4-6H2,1H3 ,(H,19,23)(H,30,31)(H,32, 33)(H,20,24,29)/t8-,9-,10 -,12+,13-,14-,15-,16-,17- /m1/s1; KUFKOJZYUNOEES-DLLWPQOWSA-N |
CC(=O)N[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1 O)O)CO)C[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2 [C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O) O; CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[C H]1C[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([C H](O)[CH]2O)N3C=CC(=O)NC3=O; CC(=O)NC1C( OC(C(C1O)O)CO)CP(=O)(O)OP(=O)(O)OCC2C(C( C(O2)N3C=CC(=O)NC3=O)O)O; CC(=O)N[C@@H]1 [C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1C[P@@ ](O)(=O)O[P@@](O)(=O)OC[C@H]2O[C@H]([C@H ](O)[C@@H]2O)N3C=CC(=O)NC3=O |
URIDINE-DIPHOSPHATE-METHYLENE-N-ACETYL-GLUCOSAMINE; ((2S,3R,4R,5S,6R)-3-ACETAMIDO-4,5-DIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YL)METHYLPHOSPHONIC (((2R,3S,4R,5R)-5-(2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL)METHYL PHOSPHORIC) ANHYDRIDE |
| 39261 | UDN | 2 | C18 H29 N3 O16 P2 | InChI=1S/C18H29N3O16P2/c1 -7(23)19-12-10(35-8(4-22) 13(25)15(12)27)6-38(30,31 )37-39(32,33)34-5-9-14(26 )16(28)17(36-9)21-3-2-11( 24)20-18(21)29/h2-3,8-10, 12-17,22,25-28H,4-6H2,1H3 ,(H,19,23)(H,30,31)(H,32, 33)(H,20,24,29)/t8-,9+,10 -,12+,13+,14-,15-,16-,17- /m1/s1; KUFKOJZYUNOEES-HCUIDVLSSA-N |
CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](C O)O[C@@H]1C[P](O)(=O)O[P](O)(=O)OC[C@@H] 2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O ; CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH ]1C[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH ](O)[CH]2O)N3C=CC(=O)NC3=O; CC(=O)NC1C(O C(C(C1O)O)CO)CP(=O)(O)OP(=O)(O)OCC2C(C(C (O2)N3C=CC(=O)NC3=O)O)O; CC(=O)N[C@H]1[C @H](O[C@@H]([C@@H]([C@@H]1O)O)CO)CP(=O)( O)OP(=O)(O)OCC2[C@H]([C@H]([C@@H](O2)N3C =CC(=O)NC3=O)O)O |
Uridine-Diphosphate-Methylene-N-acetyl-galactosamine |
| 39262 | UDO CHEMBL3104526 ZINC000095920780 |
1 | C24 H21 Cl F3 N3 O | InChI=1S/C24H21ClF3N3O/c2 5-20-7-3-17(4-8-20)22(18- 2-1-11-29-16-18)23(32)31- 14-12-30(13-15-31)21-9-5- 19(6-10-21)24(26,27)28/h1 -11,16,22H,12-15H2/t22-/m 0/s1; OJFZYAQGMWSUID-QFIPXVFZSA-N |
FC(F)(F)c1ccc(cc1)N2CCN(CC2)C(=O)[CH](c3 ccc(Cl)cc3)c4cccnc4; c1cc(cnc1)[C@H](c2c cc(cc2)Cl)C(=O)N3CCN(CC3)c4ccc(cc4)C(F)( F)F; FC(F)(F)c1ccc(cc1)N2CCN(CC2)C(=O)[C @@H](c3ccc(Cl)cc3)c4cccnc4; O=C(N2CCN(c1 ccc(cc1)C(F)(F)F)CC2)C(c3ccc(Cl)cc3)c4cc cnc4; c1cc(cnc1)C(c2ccc(cc2)Cl)C(=O)N3CC N(CC3)c4ccc(cc4)C(F)(F)F |
(S)-2-(4-chlorophenyl)-2-pyridin-3-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone |
| 39263 | UDP CHEMBL130266 DB03435 ZINC000004490939 |
1262 | C9 H14 N2 O12 P2 | InChI=1S/C9H14N2O12P2/c12 -5-1-2-11(9(15)10-5)8-7(1 4)6(13)4(22-8)3-21-25(19, 20)23-24(16,17)18/h1-2,4, 6-8,13-14H,3H2,(H,19,20)( H,10,12,15)(H2,16,17,18)/ t4-,6-,7-,8-/m1/s1; XCCTYIAWTASOJW-XVFCMESISA-N |
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@ H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O; O[CH ]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)( O)=O)N2C=CC(=O)NC2=O; O[C@H]1[C@@H](O)[C @@H](O[C@@H]1CO[P](O)(=O)O[P](O)(O)=O)N2 C=CC(=O)NC2=O; C1=CN(C(=O)NC1=O)C2C(C(C( O2)COP(=O)(O)OP(=O)(O)O)O)O; O=P(O)(O)OP (=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O |
URIDINE-5'-DIPHOSPHATE |
| 39264 | UDQ ZINC000257282554 |
1 | C24 H34 N6 O2 | InChI=1S/C24H34N6O2/c1-25 -21-14-22(28-18-27-21)30- 13-5-10-24(32,17-30)16-26 -23(31)20-8-6-19(7-9-20)1 5-29-11-3-2-4-12-29/h6-9, 14,18,32H,2-5,10-13,15-17 H2,1H3,(H,26,31)(H,25,27, 28)/t24-/m1/s1; OUFLYLBALJIUPJ-XMMPIXPASA-N |
CNc1cc(ncn1)N2CCC[C@](C2)(CNC(=O)c3ccc(c c3)CN4CCCCC4)O; CNc1cc(ncn1)N2CCCC(C2)(C NC(=O)c3ccc(cc3)CN4CCCCC4)O; CNc1cc(ncn1 )N2CCC[C](O)(CNC(=O)c3ccc(CN4CCCCC4)cc3) C2; CNc1cc(ncn1)N2CCC[C@@](O)(CNC(=O)c3c cc(CN4CCCCC4)cc3)C2 |
N-[[(3R)-3-Hydroxy-1-[6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide; ~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide |
| 39265 | UDR CHEMBL574823 ZINC000034875798 |
1 | C27 H29 N3 O5 S | InChI=1S/C27H29N3O5S/c1-1 5-11-18(13-21(24(15)33-5) 26(31)36-6)20(9-7-8-10-23 -29-28-17(3)34-23)19-12-1 6(2)25-22(14-19)30(4)27(3 2)35-25/h9,11-14H,7-8,10H 2,1-6H3/b20-9+; OIXOQSQILWVOGS-AWQFTUOYSA-N |
COc1c(C)cc(cc1C(=O)SC)C(=CCCCc2oc(C)nn2) c3cc(C)c4OC(=O)N(C)c4c3; O=C(SC)c1c(OC)c (cc(c1)C(\c3cc2c(OC(=O)N2C)c(c3)C)=C/CCC c4nnc(o4)C)C; Cc1cc(cc2c1OC(=O)N2C)C(=CC CCc3nnc(o3)C)c4cc(c(c(c4)C(=O)SC)OC)C; C Oc1c(C)cc(cc1C(=O)SC)\C(=C/CCCc2oc(C)nn2 )c3cc(C)c4OC(=O)N(C)c4c3; Cc1cc(cc2c1OC( =O)N2C)/C(=C/CCCc3nnc(o3)C)/c4cc(c(c(c4) C(=O)SC)OC)C |
(E)-S-Methyl 5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methy lbenzothioate; S-methyl 5-[(1E)-1-(3,7-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-en-1-yl]-2-methox y-3-methylbenzenecarbothioate |
| 39266 | UDS ZINC000058649713 |
0 | C13 H12 N2 O5 | InChI=1S/C13H12N2O5/c16-6 -9(13(19)20)15-12(18)11-1 0(17)5-7-3-1-2-4-8(7)14-1 1/h1-5,9,16-17H,6H2,(H,15 ,18)(H,19,20)/t9-/m1/s1; BTUDZNSKPNNMTD-SECBINFHSA-N |
OC[CH](NC(=O)c1nc2ccccc2cc1O)C(O)=O; c1c cc2c(c1)cc(c(n2)C(=O)N[C@H](CO)C(=O)O)O; O=C(O)C(NC(=O)c1nc2ccccc2cc1O)CO; c1ccc 2c(c1)cc(c(n2)C(=O)NC(CO)C(=O)O)O; OC[C@ @H](NC(=O)c1nc2ccccc2cc1O)C(O)=O |
N-[(3-HYDROXYQUINOLIN-2-YL)CARBONYL]-D-SERINE |
| 39267 | UDT DB08684 ZINC000053683305 |
2 | C11 H22 O2 S | InChI=1S/C11H22O2S/c1-2-3 -4-5-6-7-8-9-10-13-11(12) 14/h2-10H2,1H3,(H,12,14); RFWUWWWJCLPVPT-UHFFFAOYSA-N |
CCCCCCCCCCOC(S)=O; CCCCCCCCCCOC(=O)S; O= C(OCCCCCCCCCC)S |
O-DECYL HYDROGEN THIOCARBONATE |
| 39268 | UDU | 0 | C73 H88 F N13 O16 | InChI=1S/C73H88FN13O16/c1 -42(2)64-47(24-25-59(91)7 5-28-12-16-43(3)34-51(89) 37-48(74)38-60-77-53(41-1 01-60)69(96)86-31-15-22-5 5(86)72(99)103-64)36-49-4 0-84(82-81-49)32-27-52-68 (95)85-30-14-21-54(85)70( 97)83(5)57(35-45-17-8-6-9 -18-45)71(98)87-33-26-50( 88)39-56(87)65(92)80-62(4 6-19-10-7-11-20-46)73(100 )102-44(4)61(66(93)78-52) 79-67(94)63-58(90)23-13-2 9-76-63/h6-13,16-20,23-25 ,29,34,40-42,44,47-48,50- 52,54-57,61-62,64,88-90H, 14-15,21-22,26-28,30-33,3 5-39H2,1-5H3,(H,75,91)(H, 78,93)(H,79,94)(H,80,92)/ b16-12+,25-24+,43-34+/t44 -,47+,48-,50-,51-,52-,54+ ,55-,56+,57+,61+,62+,64-/ m1/s1; AKWYIICERUUSEV-ICXLGISRSA-N |
CC(C)[CH]1OC(=O)[CH]2CCCN2C(=O)c3coc(C[C H](F)C[CH](O)C=C(C)C=CCNC(=O)C=C[CH]1Cc4 cn(CC[CH]5NC(=O)[CH](NC(=O)c6ncccc6O)[CH ](C)OC(=O)[CH](NC(=O)[CH]7C[CH](O)CCN7C( =O)[CH](Cc8ccccc8)N(C)C(=O)[CH]9CCCN9C5= O)c%10ccccc%10)nn4)n3; CC(C)[C@H]1OC(=O) [C@H]2CCCN2C(=O)c3coc(C[C@H](F)C[C@H](O) /C=C(C)/C=C/CNC(=O)/C=C/[C@H]1Cc4cn(CC[C @H]5NC(=O)[C@@H](NC(=O)c6ncccc6O)[C@@H]( C)OC(=O)[C@@H](NC(=O)[C@@H]7C[C@H](O)CCN 7C(=O)[C@H](Cc8ccccc8)N(C)C(=O)[C@@H]9CC CN9C5=O)c%10ccccc%10)nn4)n3; CC1C(C(=O)N C(C(=O)N2CCCC2C(=O)N(C(C(=O)N3CCC(CC3C(= O)NC(C(=O)O1)c4ccccc4)O)Cc5ccccc5)C)CCn6 cc(nn6)CC7C=CC(=O)NCC=CC(=CC(CC(Cc8nc(co 8)C(=O)N9CCCC9C(=O)OC7C(C)C)F)O)C)NC(=O) c1c(cccn1)O; C[C@@H]1[C@@H](C(=O)N[C@@H] (C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)N3CC[ C@H](C[C@H]3C(=O)N[C@H](C(=O)O1)c4ccccc4 )O)Cc5ccccc5)C)CCn6cc(nn6)C[C@@H]7/C=C/C (=O)NC/C=C/C(=C/[C@H](C[C@H](Cc8nc(co8)C (=O)N9CCC[C@@H]9C(=O)O[C@@H]7C(C)C)F)O)/ C)NC(=O)c1c(cccn1)O; CC1=CC(O)CC(F)Cc2nc (co2)C(=O)N2CCCC2C(=O)OC(C(C)C)C(C=CC(=O )NCC=C1)Cc1cn(nn1)CCC1NC(=O)C(NC(=O)c2nc ccc2O)C(C)OC(=O)C(NC(=O)C2CC(O)CCN2C(=O) C(Cc2ccccc2)N(C)C(=O)C2CCCN2C1=O)c1ccccc 1 |
N-{(4R,6R,9S,10R,13S,15aS,17R,20R,22S,24aS)-22-benzyl-6-[2-(4-{[(3R,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-3-(propan-2-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-4-yl]methyl}-1H-1,2,3-triazol-1-yl)ethyl]-17-hydroxy-10,23-dimethyl-5,8,12,15,21,24-hexaoxo-13-phenyldocosahydro-12H-pyrido[2,1-f]pyrrolo[2,1-l][1,4,7,10,13,16]oxapentaazacyclononadecin-9-yl}-3-hydroxypyridine-2-carboxamide |
| 39269 | UDV | 2 | C23 H19 Cl N6 | InChI=1S/C23H19ClN6/c1-14 -27-28-22-23(9-10-23)26-2 1(15-3-6-18(24)7-4-15)19- 11-16(5-8-20(19)30(14)22) 17-12-25-29(2)13-17/h3-8, 11-13H,9-10H2,1-2H3; UXTMKNQZSFMNHD-UHFFFAOYSA-N |
c4(C)nnc5C1(CC1)N=C(c2c(ccc(c2)c3cn(C)nc 3)n45)c6ccc(cc6)Cl; Cc1nnc2n1-c3ccc(cc3C (=NC24CC4)c5ccc(cc5)Cl)c6cnn(c6)C; Cn1cc (cn1)c2ccc3n4c(C)nnc4C5(CC5)N=C(c6ccc(Cl )cc6)c3c2 |
6'-(4-chlorophenyl)-1'-methyl-8'-(1-methyl-1H-pyrazol-4-yl)spiro[cyclopropane-1,4'-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine] |
| 39270 | UDW | 1 | C17 H23 N5 O3 S | InChI=1S/C17H23N5O3S/c18- 26(24,25)15-5-1-3-13(7-15 )9-19-16-8-17(21-12-20-16 )22-6-2-4-14(10-22)11-23/ h1,3,5,7-8,12,14,23H,2,4, 6,9-11H2,(H2,18,24,25)(H, 19,20,21)/t14-/m1/s1; FIYSDYINBKMBKY-CQSZACIVSA-N |
c1cc(cc(c1)S(=O)(=O)N)CNc2cc(ncn2)N3CCCC (C3)CO; c1cc(cc(c1)S(=O)(=O)N)CNc2cc(ncn 2)N3CCC[C@H](C3)CO; N[S](=O)(=O)c1cccc(C Nc2cc(ncn2)N3CCC[CH](CO)C3)c1; N[S](=O)( =O)c1cccc(CNc2cc(ncn2)N3CCC[C@@H](CO)C3) c1 |
(S)-3-(((6-(3-(hydroxymethyl)piperidin-1-yl)pyrimidin-4-yl)amino)methyl)benzenesulfonamide; 3-[[[6-[(3~{R})-3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]benzenesulfonamide |
| 39271 | UDX DB01713 ZINC000008551129 |
68 | C14 H22 N2 O16 P2 | InChI=1S/C14H22N2O16P2/c1 7-5-3-28-13(11(22)8(5)19) 31-34(26,27)32-33(24,25)2 9-4-6-9(20)10(21)12(30-6) 16-2-1-7(18)15-14(16)23/h 1-2,5-6,8-13,17,19-22H,3- 4H2,(H,24,25)(H,26,27)(H, 15,18,23)/t5-,6-,8+,9-,10 -,11-,12-,13-/m1/s1; DQQDLYVHOTZLOR-OCIMBMBZSA-N |
O[C@@H]1CO[C@H](O[P@@](O)(=O)O[P@@](O)(= O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC (=O)NC3=O)[C@H](O)[C@H]1O; O=P(OC1OCC(O) C(O)C1O)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2 =O)C(O)C3O; C1C(C(C(C(O1)OP(=O)(O)OP(=O) (O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)O)O) O; C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](= O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C @@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O; O[CH] 1CO[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[C H]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](O) [CH]1O |
URIDINE-5'-DIPHOSPHATE-XYLOPYRANOSE; UDP-ALPHA-D-XYLOPYRANOSE |
| 39272 | UDY CHEMBL587611 |
1 | C15 H9 F N4 S2 | InChI=1S/C15H9FN4S2/c16-9 -4-5-11-13(7-9)22-15(18-1 1)20-14-19-12(8-21-14)10- 3-1-2-6-17-10/h1-8H,(H,18 ,19,20); CKLUPEBKNDQOFT-UHFFFAOYSA-N |
c1ccnc(c1)c2csc(n2)Nc3nc4ccc(cc4s3)F; Fc 1ccc2nc(Nc3scc(n3)c4ccccn4)sc2c1 |
6-fluoranyl-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine |
| 39273 | UDZ ZINC000098209493 |
2 | C17 H27 N6 O16 P2 | InChI=1S/C17H26N6O16P2/c1 -6(24)20-10-13(28)11(26)7 (4-19-22-18)37-16(10)38-4 1(33,34)39-40(31,32)35-5- 8-12(27)14(29)15(36-8)23- 3-2-9(25)21-17(23)30/h2-3 ,7-8,10-16,18,26-29H,4-5H 2,1H3,(H3-,20,21,24,25,30 ,31,32,33,34)/p+1/t7-,8-, 10-,11-,12-,13-,14-,15-,1 6-/m1/s1; JRORMXITLCSMOP-CFRASDGPSA-O |
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CN =[N+]=N)O[C@@H]1O[P](O)(=O)O[P](O)(=O)OC [C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O) NC3=O; CC(=O)N[CH]1[CH](O)[CH](O)[CH](CN =[N+]=N)O[CH]1O[P](O)(=O)O[P](O)(=O)OC[C H]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O; O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP (=O)(OC3OC(C(O)C(O)C3NC(=O)C)C/N=[N+]=[N @H])O)O; CC(=O)NC1C(C(C(OC1OP(=O)(O)OP(= O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CN =[N+]=N)O)O; CC(=O)N[C@@H]1[C@H]([C@@H]( [C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H] 2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O )O)CN=[N+]=N)O)O |
|
| 39274 | UE0 | 1 | C15 H19 N O3 | InChI=1S/C15H19NO3/c1-11- 4-6-13(7-5-11)15(14(18)19 )8-3-9-16(10-15)12(2)17/h 4-7H,3,8-10H2,1-2H3,(H,18 ,19)/t15-/m1/s1; FZGIXDHLUQHJKF-OAHLLOKOSA-N |
CC(=O)N1CCC[C@](C1)(C(O)=O)c2ccc(C)cc2; Cc1ccc(cc1)[C@]2(CCCN(C2)C(=O)C)C(=O)O; CC(=O)N1CCC[C](C1)(C(O)=O)c2ccc(C)cc2; C c1ccc(cc1)C2(CCCN(C2)C(=O)C)C(=O)O |
(3~{S})-1-ethanoyl-3-(4-methylphenyl)piperidine-3-carboxylic acid |
| 39275 | UE1 | 3 | C23 H27 N10 O13 S2 | InChI=1S/C23H28N10O13S2/c 1-23(2,19(40)41)46-30-16( 13-9-47-20(24)28-13)18(39 )27-10(7-34)4-26-21(42)31 -48(44,45)33-22(43)32(6-1 1(36)8-35)17(29-33)12-3-1 4(37)15(38)5-25-12/h3,5,7 ,9-11,35-36,38H,4,6,8H2,1 -2H3,(H2,24,28)(H,25,37)( H,27,39)(H,40,41)(H2,26,3 1,42)/p-1/b30-16-/t10-,11 +/m0/s1; CVHWOSQJHWFYSJ-DXKYJFGHSA-M |
CC(C)(C(=O)[O-])ON=C(c1csc(n1)N)C(=O)NC( CNC(=O)NS(=O)(=O)N2C(=O)N(C(=N2)c3cc(c(c n3)O)O)CC(CO)O)C=O; CC(C)(ON=C(C(=O)N[CH ](CNC(=O)N[S](=O)(=O)N1N=C(N(C[CH](O)CO) C1=O)c2cc(O)c(O)cn2)C=O)c3csc(N)n3)C([O- ])=O; CC(C)(C(=O)[O-])O/N=C(/c1csc(n1)N) \C(=O)N[C@@H](CNC(=O)NS(=O)(=O)N2C(=O)N( C(=N2)c3cc(c(cn3)O)O)C[C@H](CO)O)C=O; CC (C)(O\N=C(/C(=O)N[C@@H](CNC(=O)N[S](=O)( =O)N1N=C(N(C[C@@H](O)CO)C1=O)c2cc(O)c(O) cn2)C=O)c3csc(N)n3)C([O-])=O; O=C1N(C(=N N1S(=O)(=O)NC(=O)NCC(C=O)NC(=O)C(=N\OC(C ([O-])=O)(C)C)/c2nc(sc2)N)c3ncc(O)c(O)c3 )CC(O)CO |
(4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-1-[({4-[(2R)-2,3-dihydroxypropyl]-3-(4,5-dihydroxypyridin-2-yl)-5-oxo-4,5-dihydro- 1H-1,2,4-triazol-1-yl}sulfonyl)amino]-4-formyl-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oate; MC-1 (open form) |
| 39276 | UE2 | 1 | C26 H38 N6 O2 | InChI=1S/C26H38N6O2/c1-25 (2)10-13-31(14-11-25)16-2 0-5-7-21(8-6-20)24(33)28- 17-26(34)9-4-12-32(18-26) 23-15-22(27-3)29-19-30-23 /h5-8,15,19,34H,4,9-14,16 -18H2,1-3H3,(H,28,33)(H,2 7,29,30)/t26-/m1/s1; IIFMUBYLGZFTQM-AREMUKBSSA-N |
CC1(CCN(CC1)Cc2ccc(cc2)C(=O)NCC3(CCCN(C3 )c4cc(ncn4)NC)O)C; CC1(CCN(CC1)Cc2ccc(cc 2)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NC)O)C ; CNc1cc(ncn1)N2CCC[C](O)(CNC(=O)c3ccc(C N4CCC(C)(C)CC4)cc3)C2; CNc1cc(ncn1)N2CCC [C@@](O)(CNC(=O)c3ccc(CN4CCC(C)(C)CC4)cc 3)C2 |
(R)-N-((3-hydroxy-1-(6-(methylamino)pyrimidin-4-yl)piperidin-3-yl)methyl)-4-((4-methylpiperidin-1-yl)methyl)benzamide; 4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]benzamide |
| 39277 | UE3 ZINC000000394028 |
1 | C5 H10 O3 | InChI=1S/C5H10O3/c1-2-3-4 (6)5(7)8/h4,6H,2-3H2,1H3, (H,7,8)/t4-/m1/s1; JRHWHSJDIILJAT-SCSAIBSYSA-N |
CCC[CH](O)C(O)=O; CCCC(C(=O)O)O; CCC[C@H ](C(=O)O)O; CCC[C@@H](O)C(O)=O |
(2R)-2-oxidanylpentanoic acid; (2R)-2-hydroxypentanoic acid |
| 39278 | UE5 | 1 | C32 H42 N6 O2 | InChI=1S/C32H42N6O2/c1-31 (2)14-17-37(18-15-31)21-2 6-9-11-27(12-10-26)30(39) 34-22-32(40)13-6-16-38(23 -32)29-19-28(35-24-36-29) 33-20-25-7-4-3-5-8-25/h3- 5,7-12,19,24,40H,6,13-18, 20-23H2,1-2H3,(H,34,39)(H ,33,35,36)/t32-/m1/s1; UMNYWWVELYOOIU-JGCGQSQUSA-N |
CC1(CCN(CC1)Cc2ccc(cc2)C(=O)NCC3(CCCN(C3 )c4cc(ncn4)NCc5ccccc5)O)C; CC1(CCN(CC1)C c2ccc(cc2)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn 4)NCc5ccccc5)O)C; CC1(C)CCN(CC1)Cc2ccc(c c2)C(=O)NC[C@]3(O)CCCN(C3)c4cc(NCc5ccccc 5)ncn4; CC1(C)CCN(CC1)Cc2ccc(cc2)C(=O)NC [C]3(O)CCCN(C3)c4cc(NCc5ccccc5)ncn4 |
(R)-N-((1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)-4-((4,4-dimethylpiperidin-1-yl)methyl)benzamide; 4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide |
| 39279 | UE6 | 0 | C34 H47 F N8 O7 | InChI=1S/C34H47FN8O7/c1-2 1(2)32-23(15-30(46)38-11- 13-42-19-25(18-36)40-41-4 2)8-9-29(45)37-10-4-6-22( 3)14-26(44)16-24(35)17-31 -39-27(20-49-31)33(47)43- 12-5-7-28(43)34(48)50-32/ h4,6,8-9,14,19-21,23-24,2 6,28,32,44H,5,7,10-13,15- 18,36H2,1-3H3,(H,37,45)(H ,38,46)/b6-4+,9-8+,22-14+ /t23-,24+,26+,28+,32+/m0/ s1; RNJPMSAQPUHGGT-ZOWXNTJRSA-N |
CC(C)[C@H]1OC(=O)[C@H]2CCCN2C(=O)c3coc(C [C@H](F)C[C@H](O)/C=C(C)/C=C/CNC(=O)/C=C /[C@H]1CC(=O)NCCn4cc(CN)nn4)n3; CC(C)[CH ]1OC(=O)[CH]2CCCN2C(=O)c3coc(C[CH](F)C[C H](O)C=C(C)C=CCNC(=O)C=C[CH]1CC(=O)NCCn4 cc(CN)nn4)n3; C/C/1=C\[C@H](C[C@H](Cc2nc (co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]([C@@H ](/C=C/C(=O)NC\C=C1)CC(=O)NCCn4cc(nn4)CN )C(C)C)F)O; CC1=CC(CC(Cc2nc(co2)C(=O)N3C CCC3C(=O)OC(C(C=CC(=O)NCC=C1)CC(=O)NCCn4 cc(nn4)CN)C(C)C)F)O; NCc1cn(nn1)CCNC(=O) CC1C=CC(=O)NCC=CC(C)=CC(O)CC(F)Cc2nc(co2 )C(=O)N2CCCC2C(=O)OC1C(C)C |
N-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethyl}-2-[(3R,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-3-(propan-2-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-4-yl]acetamide |
| 39280 | UE7 | 2 | C9 H13 N3 O3 S | InChI=1S/C9H13N3O3S/c1-2- 11-9(13)12-7-3-5-8(6-4-7) 16(10,14)15/h3-6H,2H2,1H3 ,(H2,10,14,15)(H2,11,12,1 3); MMKFCCLMBRGOIK-UHFFFAOYSA-N |
CCNC(=O)Nc1ccc(cc1)[S](N)(=O)=O; CCNC(=O )Nc1ccc(cc1)S(=O)(=O)N |
1-ethyl-3-(4-sulfamoylphenyl)urea; 4-(3-ethylureido)benzenesulfonamide |
| 39281 | UE8 CHEMBL4278946 ZINC000038437163 |
4 | C10 H12 N4 O2 S | InChI=1S/C10H12N4O2S/c15- 9-7-8(12-5-11-7)14(10(17) 13-9)4-6-2-1-3-16-6/h5-6H ,1-4H2,(H,11,12)(H,13,15, 17)/t6-/m1/s1; RSPDBEVKURKEII-ZCFIWIBFSA-N |
O=C1NC(=S)N(C[CH]2CCCO2)c3[nH]cnc13; O=C 1NC(=S)N(C[C@H]2CCCO2)c3[nH]cnc13; c1[nH ]c2c(n1)C(=O)NC(=S)N2C[C@H]3CCCO3; c1[nH ]c2c(n1)C(=O)NC(=S)N2CC3CCCO3 |
2-sulfanylidene-3-[(2R)-tetrahydro-2-furanylmethyl]-1,2,3,7-tetrahydro-6H-purin-6-one; 3-[[(2~{R})-oxolan-2-yl]methyl]-2-sulfanylidene-9~{H}-purin-6-one |
| 39282 | UE9 | 1 | C22 H18 F4 N4 O2 | InChI=1S/C22H18F4N4O2/c1- 12-5-3-4-6-17(12)29-19-18 (9-14(11-28-19)20(31)27-2 )30-21(32)13-7-15(22(24,2 5)26)10-16(23)8-13/h3-11H ,1-2H3,(H,27,31)(H,28,29) (H,30,32); ZQUWDKRQMSZGSZ-UHFFFAOYSA-N |
CNC(=O)c1cnc(Nc2ccccc2C)c(NC(=O)c3cc(F)c c(c3)C(F)(F)F)c1; FC(F)(F)c1cc(cc(F)c1)C (=O)Nc1cc(cnc1Nc1ccccc1C)C(=O)NC; Cc1ccc cc1Nc2c(cc(cn2)C(=O)NC)NC(=O)c3cc(cc(c3) F)C(F)(F)F |
5-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide |
| 39283 | UEA | 0 | C6 H12 O6 | InChI=1S/C6H12O6/c7-1-3-4 (9)5(10)6(11,2-8)12-3/h3- 5,7-11H,1-2H2/t3-,4+,5-,6 -/m1/s1; RFSUNEUAIZKAJO-JGWLITMVSA-N |
C([C@@H]1[C@@H]([C@H]([C@](O1)(CO)O)O)O) O; OC[CH]1O[C](O)(CO)[CH](O)[CH]1O; C(C1 C(C(C(O1)(CO)O)O)O)O; OC[C@H]1O[C@](O)(C O)[C@H](O)[C@H]1O; OC1(C(C(C(O1)CO)O)O)C O |
beta-D-sorbofuranose; beta-D-sorbose; D-sorbose; sorbose |
| 39284 | UEB | 4 | C20 H18 N4 O S | InChI=1S/C20H18N4OS/c21-1 7(13-6-2-1-3-7-13)15-9-5- 4-8-14(15)12-24-16-10-11- 22-18(16)19(25)23-20(24)2 6/h1-11,17,22H,12,21H2,(H ,23,25,26)/t17-/m1/s1; JABFRGYJMKKWKF-QGZVFWFLSA-N |
c1ccc(cc1)[C@H](c2ccccc2CN3c4cc[nH]c4C(= O)NC3=S)N; c1ccc(cc1)C(c2ccccc2CN3c4cc[n H]c4C(=O)NC3=S)N; N[C@H](c1ccccc1)c2cccc c2CN3C(=S)NC(=O)c4[nH]ccc34; N[CH](c1ccc cc1)c2ccccc2CN3C(=S)NC(=O)c4[nH]ccc34 |
(S)-1-(2-(amino(phenyl)methyl)benzyl)-2-thioxo-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one; 1-[[2-[(~{R})-azanyl(phenyl)methyl]phenyl]methyl]-2-sulfanylidene-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one |
| 39285 | UEC | 0 | C38 H47 F N8 O7 | InChI=1S/C38H47FN8O7/c1-2 4(2)36-27(19-34(50)42-15- 17-46-22-30(44-45-46)26-1 0-13-40-14-11-26)8-9-33(4 9)41-12-4-6-25(3)18-29(48 )20-28(39)21-35-43-31(23- 53-35)37(51)47-16-5-7-32( 47)38(52)54-36/h4,6,8-11, 13-14,18,22-24,27-29,32,3 6,48H,5,7,12,15-17,19-21H 2,1-3H3,(H,41,49)(H,42,50 )/b6-4+,9-8+,25-18+/t27-, 28+,29+,32+,36+/m0/s1; ZKKDHTKKKXTJNA-MYNZRUMZSA-N |
C/C/1=C\[C@H](C[C@H](Cc2nc(co2)C(=O)N3CC C[C@@H]3C(=O)O[C@@H]([C@@H](/C=C/C(=O)NC \C=C1)CC(=O)NCCn4cc(nn4)c5ccncc5)C(C)C)F )O; CC(C)[CH]1OC(=O)[CH]2CCCN2C(=O)c3coc (C[CH](F)C[CH](O)C=C(C)C=CCNC(=O)C=C[CH] 1CC(=O)NCCn4cc(nn4)c5ccncc5)n3; CC(C)[C@ H]1OC(=O)[C@H]2CCCN2C(=O)c3coc(C[C@H](F) C[C@H](O)/C=C(C)/C=C/CNC(=O)/C=C/[C@H]1C C(=O)NCCn4cc(nn4)c5ccncc5)n3; CC1=CC(CC( Cc2nc(co2)C(=O)N3CCCC3C(=O)OC(C(C=CC(=O) NCC=C1)CC(=O)NCCn4cc(nn4)c5ccncc5)C(C)C) F)O; CC(C)C1OC(=O)C2CCCN2C(=O)c2nc(oc2)C C(F)CC(O)C=C(C)C=CCNC(=O)C=CC1CC(=O)NCCn 1cc(nn1)c1ccncc1 |
2-[(3R,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-3-(propan-2-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-4-yl]-N-{2-[4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl]ethyl}acetamide |
| 39286 | UED ZINC000072178988 |
40 | C21 H31 N3 O5 | InChI=1S/C21H31N3O5/c1-14 (2)10-18(24-21(28)29-13-1 5-6-4-3-5-7-15)20(27)23-1 7(12-25)11-16-8-9-22-19(1 6)26/h3-7,14,16-18,25H,8- 13H2,1-2H3,(H,22,26)(H,23 ,27)(H,24,28)/t16-,17-,18 -/m0/s1; JUCVXDDMQHPCKT-BZSNNMDCSA-N |
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H] (CO)C[C@@H]2CCNC2=O; CC(C)CC(C(=O)NC(CC1 CCNC1=O)CO)NC(=O)OCc2ccccc2; CC(C)C[CH]( NC(=O)OCc1ccccc1)C(=O)N[CH](CO)C[CH]2CCN C2=O; C(OC(=O)NC(C(NC(CO)CC1C(NCC1)=O)=O )CC(C)C)c2ccccc2; CC(C)C[C@@H](C(=O)N[C@ @H](C[C@@H]1CCNC1=O)CO)NC(=O)OCc2ccccc2 |
N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide; GC373 bound form, GC376 bound form |
| 39287 | UEE | 2 | C31 H38 N6 O2 | InChI=1S/C31H38N6O2/c38-2 9(26-10-8-25(9-11-26)18-3 6-20-30(21-36)12-4-13-30) 33-19-31(39)14-5-15-37(22 -31)28-16-27(34-23-35-28) 32-17-24-6-2-1-3-7-24/h1- 3,6-11,16,23,39H,4-5,12-1 5,17-22H2,(H,33,38)(H,32, 34,35)/t31-/m1/s1; YYXDDEFPSYEFQV-WJOKGBTCSA-N |
O[C@]1(CCCN(C1)c2cc(NCc3ccccc3)ncn2)CNC( =O)c4ccc(CN5CC6(CCC6)C5)cc4; c1ccc(cc1)C Nc2cc(ncn2)N3CCC[C@](C3)(CNC(=O)c4ccc(cc 4)CN5CC6(C5)CCC6)O; c1ccc(cc1)CNc2cc(ncn 2)N3CCCC(C3)(CNC(=O)c4ccc(cc4)CN5CC6(C5) CCC6)O; O[C]1(CCCN(C1)c2cc(NCc3ccccc3)nc n2)CNC(=O)c4ccc(CN5CC6(CCC6)C5)cc4 |
(R)-4-((2-azaspiro[3.3]heptan-2-yl)methyl)-N-((1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)benzamide; 4-(2-azaspiro[3.3]heptan-2-ylmethyl)-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide |
| 39288 | UEF | 3 | C12 H15 N3 O S | InChI=1S/C12H15N3OS/c1-12 (2)3-8(4-12)14-11(16)9-6- 17-10-5-13-7-15(9)10/h5-8 H,3-4H2,1-2H3,(H,14,16); BGTUKELOHMTWLO-UHFFFAOYSA-N |
CC1(C)CC(C1)NC(=O)c2csc3cncn23; CC1(CC(C 1)NC(=O)c2csc3n2cnc3)C |
~{N}-(3,3-dimethylcyclobutyl)imidazo[5,1-b][1,3]thiazole-3-carboxamide |
| 39289 | UEG CHEMBL1364 DB00165 ZINC000000049154 |
10 | C8 H11 N O3 | InChI=1S/C8H11NO3/c1-5-8( 12)7(4-11)6(3-10)2-9-5/h2 ,10-12H,3-4H2,1H3; LXNHXLLTXMVWPM-UHFFFAOYSA-N |
Cc1c(c(c(cn1)CO)CO)O; Oc1c(c(cnc1C)CO)CO ; Cc1ncc(CO)c(CO)c1O |
4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol |
| 39290 | UEH | 1 | C34 H45 N7 O4 | InChI=1S/C34H45N7O4/c1-33 (2)11-14-40(15-12-33)20-2 5-8-9-27(28(42)17-25)32(4 4)37-21-34(45)10-5-13-41( 22-34)30-18-29(38-23-39-3 0)36-19-24-6-4-7-26(16-24 )31(43)35-3/h4,6-9,16-18, 23,42,45H,5,10-15,19-22H2 ,1-3H3,(H,35,43)(H,37,44) (H,36,38,39)/t34-/m1/s1; HJSOUGSVWHGZMD-UUWRZZSWSA-N |
CC1(CCN(CC1)Cc2ccc(c(c2)O)C(=O)NCC3(CCCN (C3)c4cc(ncn4)NCc5cccc(c5)C(=O)NC)O)C; C C1(CCN(CC1)Cc2ccc(c(c2)O)C(=O)NC[C@@]3(C CCN(C3)c4cc(ncn4)NCc5cccc(c5)C(=O)NC)O)C ; CNC(=O)c1cccc(CNc2cc(ncn2)N3CCC[C@@](O )(CNC(=O)c4ccc(CN5CCC(C)(C)CC5)cc4O)C3)c 1; CNC(=O)c1cccc(CNc2cc(ncn2)N3CCC[C](O) (CNC(=O)c4ccc(CN5CCC(C)(C)CC5)cc4O)C3)c1 |
(R)-4-((4,4-dimethylpiperidin-1-yl)methyl)-2-hydroxy-N-((3-hydroxy-1-(6-((3-(methylcarbamoyl)benzyl)amino)pyrimidin-4-yl)piperidin-3-yl)methyl)benzamide; 4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{R})-1-[6-[[3-(methylcarbamoyl)phenyl]methylamino]pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide |
| 39291 | UEI ZINC000005925366 |
1 | C6 H12 O3 | InChI=1S/C6H12O3/c1-3-4(2 )5(7)6(8)9/h4-5,7H,3H2,1- 2H3,(H,8,9)/t4-,5+/m0/s1; RILPIWOPNGRASR-CRCLSJGQSA-N |
CC[CH](C)[CH](O)C(O)=O; CC[C@H](C)[C@@H] (O)C(O)=O; CCC(C)C(C(=O)O)O; CC[C@H](C)[ C@H](C(=O)O)O |
(2R,3S)-3-methyl-2-oxidanyl-pentanoic acid; (2R,3S)-2-hydroxy-3-methylpentanoic acid |
| 39292 | UEJ CHEMBL5183286 |
2 | C33 H25 F N6 O5 S | InChI=1S/C33H25FN6O5S/c1- 17(41)36-26-15-19(12-13-3 5-26)29-28(38-33(39-29)46 -2)18-6-5-7-20(14-18)37-3 0(43)27-23(25(42)11-10-24 (27)34)16-40-31(44)21-8-3 -4-9-22(21)32(40)45/h3-15 ,42H,16H2,1-2H3,(H,37,43) (H,38,39)(H,35,36,41); HPMLKUVOVSVMID-UHFFFAOYSA-N |
CC(=O)Nc1cc(ccn1)c2c(nc([nH]2)SC)c3cccc( c3)NC(=O)c4c(ccc(c4CN5C(=O)c6ccccc6C5=O) O)F; CSc1[nH]c(c2ccnc(NC(C)=O)c2)c(n1)c3 cccc(NC(=O)c4c(F)ccc(O)c4CN5C(=O)c6ccccc 6C5=O)c3; c6ccc5C(=O)N(Cc4c(ccc(F)c4C(=O )Nc3cccc(c2c(c1cc(NC(C)=O)ncc1)nc(n2)SC) c3)O)C(c5c6)=O |
N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-6-fluoro-3-hydroxybenzamide |
| 39293 | UEK CHEMBL3357975 ZINC000263621107 |
1 | C29 H30 Cl2 F N3 O3 | InChI=1S/C29H30Cl2FN3O3/c 30-22-6-1-18(2-7-22)11-24 (33)14-29(38)35-15-21(17- 36)25(16-35)20-5-10-26(31 )27(13-20)34-28(37)12-19- 3-8-23(32)9-4-19/h1-10,13 ,21,24-25,36H,11-12,14-17 ,33H2,(H,34,37)/t21-,24-, 25-/m1/s1; UXESSWKATFQQDS-NQHRYMMQSA-N |
N[CH](CC(=O)N1C[CH](CO)[CH](C1)c2ccc(Cl) c(NC(=O)Cc3ccc(F)cc3)c2)Cc4ccc(Cl)cc4; N [C@@H](CC(=O)N1C[C@H](CO)[C@H](C1)c2ccc( Cl)c(NC(=O)Cc3ccc(F)cc3)c2)Cc4ccc(Cl)cc4 ; O=C(N3CC(c2ccc(Cl)c(NC(=O)Cc1ccc(F)cc1 )c2)C(CO)C3)CC(N)Cc4ccc(Cl)cc4; c1cc(ccc 1CC(CC(=O)N2CC(C(C2)c3ccc(c(c3)NC(=O)Cc4 ccc(cc4)F)Cl)CO)N)Cl; c1cc(ccc1C[C@H](CC (=O)N2C[C@@H]([C@H](C2)c3ccc(c(c3)NC(=O) Cc4ccc(cc4)F)Cl)CO)N)Cl |
N-{5-[(3S,4R)-1-[(3R)-3-amino-4-(4-chlorophenyl)butanoyl]-4-(hydroxymethyl)pyrrolidin-3-yl]-2-chlorophenyl}-2-(4-fluorophenyl)acetamide |
| 39294 | UEL | 0 | C9 H14 N5 O7 P | InChI=1S/C9H14N5O7P/c15-4 -1-6(21-5(4)2-20-22(17,18 )19)14-8-7(12-13-14)9(16) 11-3-10-8/h3-6,9,15-16H,1 -2H2,(H,10,11)(H2,17,18,1 9)/t4-,5+,6+,9+/m0/s1; JWFOELSSYQQOED-BKIHBWCSSA-N |
O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2nnc3[C H](O)NC=Nc23; O[C@H]1C[C@@H](O[C@@H]1CO[ P](O)(O)=O)n2nnc3[C@@H](O)NC=Nc23; O=P(O )(O)OCC1OC(CC1O)n1nnc2c1N=CNC2O; C1[C@@H ]([C@H](O[C@H]1n2c3c(nn2)[C@H](NC=N3)O)C OP(=O)(O)O)O; C1C(C(OC1n2c3c(nn2)C(NC=N3 )O)COP(=O)(O)O)O |
(7R)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6,7-dihydro-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol |
| 39295 | UEM | 2 | C27 H27 N5 O5 S | InChI=1S/C27H27N5O5S/c28- 19(27(35)36)10-11-38-13-2 0-22(33)23(34)26(37-20)32 -12-17(21-24(29)30-14-31- 25(21)32)9-8-16-6-3-5-15- 4-1-2-7-18(15)16/h1-7,12, 14,19-20,22-23,26,33-34H, 10-11,13,28H2,(H,35,36)(H 2,29,30,31)/t19-,20+,22+, 23+,26+/m0/s1; DUHQEPMMBOHBMU-CIPJCTFPSA-N |
N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1 O)n2cc(C#Cc3cccc4ccccc34)c5c(N)ncnc25)C( O)=O; N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O )n2cc(C#Cc3cccc4ccccc34)c5c(N)ncnc25)C(O )=O; c1ccc2c(c1)cccc2C#Cc3cn(c4c3c(ncn4) N)C5C(C(C(O5)CSCCC(C(=O)O)N)O)O; c1ccc2c (c1)cccc2C#Cc3cn(c4c3c(ncn4)N)[C@H]5[C@@ H]([C@@H]([C@H](O5)CSCC[C@@H](C(=O)O)N)O )O |
(2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-naphthalen-1-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid |
| 39296 | UEN CHEMBL3318806 ZINC000222800950 |
4 | C18 H20 F N5 | InChI=1S/C18H20FN5/c19-12 -8-6-11(7-9-12)14-10-21-1 6-15(14)17(24-18(20)23-16 )22-13-4-2-1-3-5-13/h6-10 ,13H,1-5H2,(H4,20,21,22,2 3,24); QQJUCGSYNBAQMI-UHFFFAOYSA-N |
c1cc(ccc1c2c[nH]c3c2c(nc(n3)N)NC4CCCCC4) F; Nc1nc2[nH]cc(c3ccc(F)cc3)c2c(NC4CCCCC 4)n1; Fc4ccc(c3c1c(nc(nc1NC2CCCCC2)N)nc3 )cc4 |
N4-cyclohexyl-5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine |
| 39297 | UEO | 1 | C19 H24 N6 O2 | InChI=1S/C19H24N6O2/c1-3- 18(26)24-9-4-5-15(7-10-24 )27-19-17-6-8-20-25(17)13 -16(22-19)14-11-21-23(2)1 2-14/h6,8,11-13,15H,3-5,7 ,9-10H2,1-2H3/t15-/m1/s1; ZGDYATLTXZZPSE-OAHLLOKOSA-N |
CCC(=O)N1CCCC(CC1)Oc2c3ccnn3cc(n2)c4cnn( c4)C; CCC(=O)N1CCC[C@H](CC1)Oc2c3ccnn3cc (n2)c4cnn(c4)C; CCC(=O)N1CCC[CH](CC1)Oc2 nc(cn3nccc23)c4cnn(C)c4; CCC(=O)N1CCC[C@ H](CC1)Oc2nc(cn3nccc23)c4cnn(C)c4; CCC(= O)N1CCCC(CC1)Oc1nc(cn2nccc12)c1cn(C)nc1 |
1-[(4R)-4-{[(6P,8S)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}azepan-1-yl]propan-1-one |
| 39298 | UEP ZINC000058639081 |
4 | C11 H17 N2 O9 P | InChI=1S/C11H17N2O9P/c1-2 -5-3-7(14)12-11(17)13(5)1 0-9(16)8(15)6(22-10)4-21- 23(18,19)20/h3,6,8-10,15- 16H,2,4H2,1H3,(H,12,14,17 )(H2,18,19,20)/t6-,8-,9-, 10-/m1/s1; SVESMKHPINYNGL-PEBGCTIMSA-N |
O=C1NC(=O)N(C(=C1)CC)C2OC(C(O)C2O)COP(=O )(O)O; CCC1=CC(=O)NC(=O)N1[C@H]2[C@@H]([ C@@H]([C@H](O2)COP(=O)(O)O)O)O; CCC1=CC( =O)NC(=O)N1[CH]2O[CH](CO[P](O)(O)=O)[CH] (O)[CH]2O; CCC1=CC(=O)NC(=O)N1[C@@H]2O[C @H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O; CCC1 =CC(=O)NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O) O |
6-ethyluridine 5'-phosphate; 6-ethyl-UMP |
| 39299 | UEQ | 1 | C34 H42 N6 O2 | InChI=1S/C34H42N6O2/c41-3 2(28-10-8-26(9-11-28)20-4 0-22-33(14-4-15-33)31(40) 27-12-13-27)36-21-34(42)1 6-5-17-39(23-34)30-18-29( 37-24-38-30)35-19-25-6-2- 1-3-7-25/h1-3,6-11,18,24, 27,31,42H,4-5,12-17,19-23 H2,(H,36,41)(H,35,37,38)/ t31-,34-/m1/s1; OWDBESCKAVDZRB-QIKUIUABSA-N |
c1ccc(cc1)CNc2cc(ncn2)N3CCC[C@](C3)(CNC( =O)c4ccc(cc4)CN5CC6([C@H]5C7CC7)CCC6)O; O[C@]1(CCCN(C1)c2cc(NCc3ccccc3)ncn2)CNC( =O)c4ccc(CN5CC6(CCC6)[C@H]5C7CC7)cc4; c1 ccc(cc1)CNc2cc(ncn2)N3CCCC(C3)(CNC(=O)c4 ccc(cc4)CN5CC6(C5C7CC7)CCC6)O; O[C]1(CCC N(C1)c2cc(NCc3ccccc3)ncn2)CNC(=O)c4ccc(C N5CC6(CCC6)[CH]5C7CC7)cc4 |
4-[[(3R)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-N-[[(3R)-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide; 4-[[(3~{R})-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide |
| 39300 | UER CHEMBL4446343 |
9 | C21 H23 Cl F3 N3 O3 S | InChI=1S/C21H23ClF3N3O3S/ c1-20(2,32(30,31)18-8-5-1 6(13-26-18)21(23,24)25)19 (29)28-11-9-27(10-12-28)1 4-15-3-6-17(22)7-4-15/h3- 8,13H,9-12,14H2,1-2H3; MFQQEGNFXSEGTC-UHFFFAOYSA-N |
CC(C)(C(=O)N1CCN(CC1)Cc2ccc(Cl)cc2)[S](= O)(=O)c3ccc(cn3)C(F)(F)F; FC(F)(F)c1ccc( nc1)S(=O)(=O)C(C)(C)C(=O)N1CCN(Cc2ccc(Cl )cc2)CC1; CC(C)(C(=O)N1CCN(CC1)Cc2ccc(cc 2)Cl)S(=O)(=O)c3ccc(cn3)C(F)(F)F |
1-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-2-methyl-2-[5-(trifluoromethyl)pyridine-2-sulfonyl]propan-1-one |
| 39301 | UES | 2 | C24 H26 N6 | InChI=1S/C24H26N6/c1-29-1 1-9-18(10-12-29)17-5-7-22 (8-6-17)27-24-25-14-20-4- 3-19(13-23(20)28-24)21-15 -26-30(2)16-21/h3-8,13-16 ,18H,9-12H2,1-2H3,(H,25,2 7,28); VCCYOHCOICDUFL-UHFFFAOYSA-N |
Cn1cc(cn1)c2ccc3cnc(nc3c2)Nc4ccc(cc4)C5C CN(CC5)C; CN1CCC(CC1)c2ccc(Nc3ncc4ccc(cc 4n3)c5cnn(C)c5)cc2 |
~{N}-[4-(1-methylpiperidin-4-yl)phenyl]-7-(1-methylpyrazol-4-yl)quinazolin-2-amine |
| 39302 | UET CHEMBL3608989 ZINC000003818000 |
1 | C26 H29 N5 O4 S | InChI=1S/C26H29N5O4S/c27- 25(28)22-13-11-20(12-14-2 2)16-29-24(32)17-30-26(33 )23(15-19-7-3-1-4-8-19)31 -36(34,35)18-21-9-5-2-6-1 0-21/h1-14,23,31H,15-18H2 ,(H3,27,28)(H,29,32)(H,30 ,33)/t23-/m1/s1; BHPZMFXUQRHXSO-HSZRJFAPSA-N |
c1ccc(cc1)C[C@H](C(=O)NCC(=O)NCc2ccc(cc2 )C(=N)N)NS(=O)(=O)Cc3ccccc3; NC(=N)c1ccc (CNC(=O)CNC(=O)[C@@H](Cc2ccccc2)N[S](=O) (=O)Cc3ccccc3)cc1; O=S(=O)(NC(C(=O)NCC(= O)NCc1ccc(C(=[N@H])N)cc1)Cc2ccccc2)Cc3cc ccc3; c1ccc(cc1)CC(C(=O)NCC(=O)NCc2ccc(c c2)C(=N)N)NS(=O)(=O)Cc3ccccc3; NC(=N)c1c cc(CNC(=O)CNC(=O)[CH](Cc2ccccc2)N[S](=O) (=O)Cc3ccccc3)cc1 |
N-(BENZYLSULFONYL)-D-PHENYLALANYL-N-(4-CARBAMIMIDOYLBENZYL)GLYCINAMIDE |
| 39303 | UEU | 1 | C28 H27 F2 N3 O2 | InChI=1S/C28H27F2N3O2/c1- 28(2,35)14-17-3-7-23(26(3 0)11-17)22-8-6-19(27(34)3 3-10-9-21(32)16-33)12-24( 22)18-4-5-20(15-31)25(29) 13-18/h3-8,11-13,21,35H,9 -10,14,16,32H2,1-2H3/t21- /m1/s1; SADVGAWKLORBLA-OAQYLSRUSA-N |
CC(C)(O)Cc1ccc(c(F)c1)c2ccc(cc2c3ccc(C#N )c(F)c3)C(=O)N4CC[CH](N)C4; CC(C)(O)Cc1c cc(c(F)c1)c2ccc(cc2c3ccc(C#N)c(F)c3)C(=O )N4CC[C@@H](N)C4; CC(C)(Cc1ccc(c(c1)F)c2 ccc(cc2c3ccc(c(c3)F)C#N)C(=O)N4CCC(C4)N) O; CC(C)(Cc1ccc(c(c1)F)c2ccc(cc2c3ccc(c( c3)F)C#N)C(=O)N4CC[C@H](C4)N)O |
4-[5-[(3~{R})-3-azanylpyrrolidin-1-yl]carbonyl-2-[2-fluoranyl-4-(2-methyl-2-oxidanyl-propyl)phenyl]phenyl]-2-fluoranyl-benzenecarbonitrile |
| 39304 | UEV | 1 | C6 H19 O27 P7 | InChI=1S/C6H19O27P7/c7-34 (8,9)27-1-2(28-35(10,11)1 2)4(30-37(16,17)18)6(32-4 0(25,26)33-39(22,23)24)5( 31-38(19,20)21)3(1)29-36( 13,14)15/h1-6H,(H,25,26)( H2,7,8,9)(H2,10,11,12)(H2 ,13,14,15)(H2,16,17,18)(H 2,19,20,21)(H2,22,23,24)/ t1-,2-,3+,4+,5-,6+; UPHPWXPNZIOZJL-QWBQGLJISA-N |
O[P](O)(=O)O[CH]1[CH](O[P](O)(O)=O)[CH]( O[P](O)(O)=O)[CH](O[P](O)(=O)O[P](O)(O)= O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O; C 1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O) (O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(= O)(O)O; [C@H]1([C@H](C([C@H]([C@@H](C1OP (=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O) OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O; O[P](O )(=O)O[C@H]1[C@H](O[P](O)(O)=O)[C@@H](O[ P](O)(O)=O)[C@@H](O[P](O)(=O)O[P](O)(O)= O)[C@@H](O[P](O)(O)=O)[C@@H]1O[P](O)(O)= O; C1(C(C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(= O)(O)OP(O)(=O)O)C1OP(=O)(O)O)OP(O)(O)=O) OP(=O)(O)O |
(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate |
| 39305 | UEW | 1 | C34 H44 N6 O2 | InChI=1S/C34H44N6O2/c1-25 (2)31-33(14-6-15-33)22-40 (31)20-27-10-12-28(13-11- 27)32(41)36-21-34(42)16-7 -17-39(23-34)30-18-29(37- 24-38-30)35-19-26-8-4-3-5 -9-26/h3-5,8-13,18,24-25, 31,42H,6-7,14-17,19-23H2, 1-2H3,(H,36,41)(H,35,37,3 8)/t31-,34+/m0/s1; HVTLFMVGWJQMMA-AFPLUKJUSA-N |
CC(C)[C@H]1C2(CCC2)CN1Cc3ccc(cc3)C(=O)NC [C@@]4(CCCN(C4)c5cc(ncn5)NCc6ccccc6)O; C C(C)[CH]1N(Cc2ccc(cc2)C(=O)NC[C]3(O)CCCN (C3)c4cc(NCc5ccccc5)ncn4)CC16CCC6; CC(C) [C@@H]1N(Cc2ccc(cc2)C(=O)NC[C@]3(O)CCCN( C3)c4cc(NCc5ccccc5)ncn4)CC16CCC6; CC(C)C 1C2(CCC2)CN1Cc3ccc(cc3)C(=O)NCC4(CCCN(C4 )c5cc(ncn5)NCc6ccccc6)O |
N-(((R)-1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)-4-(((S)-1-isopropyl-2-azaspiro[3.3]heptan-2-yl)methyl)benzamide; ~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]-4-[[(3~{S})-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide |
| 39306 | UEX | 1 | C25 H23 Cl N6 O3 | InChI=1S/C25H23ClN6O3/c1- 13-8-17(14(2)28-19-4-5-20 (26)29-22(19)24(34)35)21- 18(9-13)23(33)31(3)25(30- 21)32-11-15-6-7-27-10-16( 15)12-32/h4-10,14,28H,11- 12H2,1-3H3,(H,34,35)/t14- /m1/s1; NTAJKWXFTUHESI-CQSZACIVSA-N |
Cc1cc2c(c(c1)[C@@H](C)Nc3ccc(nc3C(=O)O)C l)N=C(N(C2=O)C)N4Cc5ccncc5C4; C[C@@H](Nc 1ccc(Cl)nc1C(O)=O)c2cc(C)cc3C(=O)N(C)C(= Nc23)N4Cc5ccncc5C4; C[CH](Nc1ccc(Cl)nc1C (O)=O)c2cc(C)cc3C(=O)N(C)C(=Nc23)N4Cc5cc ncc5C4; Cc1cc2c(c(c1)C(C)Nc3ccc(nc3C(=O) O)Cl)N=C(N(C2=O)C)N4Cc5ccncc5C4 |
6-chloranyl-3-[[(1R)-1-[2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3,6-dimethyl-4-oxidanylidene-quinazolin-8-yl]ethyl]amino]pyridine-2-carboxylic acid |
| 39307 | UEY CHEMBL4761170 |
2 | C19 H17 N5 | InChI=1S/C19H17N5/c20-17- 12-16(18-19(21-17)23-24-2 2-18)15(14-9-5-2-6-10-14) 11-13-7-3-1-4-8-13/h1-10, 12,15H,11H2,(H3,20,21,22, 23,24)/t15-/m1/s1; PCFOKFFOSYNQNP-OAHLLOKOSA-N |
Nc1cc([C@H](Cc2ccccc2)c3ccccc3)c4nn[nH]c 4n1; c4cccc(CC(c2cc(nc1c2nnn1)N)c3ccccc3 )c4; c1ccc(cc1)C[C@H](c2ccccc2)c3cc(nc4c 3nn[nH]4)N; Nc1cc([CH](Cc2ccccc2)c3ccccc 3)c4nn[nH]c4n1; c1ccc(cc1)CC(c2ccccc2)c3 cc(nc4c3nn[nH]4)N |
7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine |
| 39308 | UEZ | 1 | C35 H44 N6 O | InChI=1S/C35H44N6O/c1-34( 2)15-18-40(19-16-34)23-28 -12-13-30-29(20-28)10-6-1 1-31(30)37-24-35(42)14-7- 17-41(25-35)33-21-32(38-2 6-39-33)36-22-27-8-4-3-5- 9-27/h3-6,8-13,20-21,26,3 7,42H,7,14-19,22-25H2,1-2 H3,(H,36,38,39)/t35-/m1/s 1; JOOQNDNGGGWANB-PGUFJCEWSA-N |
CC1(C)CCN(CC1)Cc2ccc3c(NC[C]4(O)CCCN(C4) c5cc(NCc6ccccc6)ncn5)cccc3c2; CC1(CCN(CC 1)Cc2ccc3c(c2)cccc3NC[C@@]4(CCCN(C4)c5cc (ncn5)NCc6ccccc6)O)C; CC1(C)CCN(CC1)Cc2c cc3c(NC[C@]4(O)CCCN(C4)c5cc(NCc6ccccc6)n cn5)cccc3c2; CC1(CCN(CC1)Cc2ccc3c(c2)ccc c3NCC4(CCCN(C4)c5cc(ncn5)NCc6ccccc6)O)C |
(R)-1-(6-(benzylamino)pyrimidin-4-yl)-3-(((6-((4,4-dimethylpiperidin-1-yl)methyl)naphthalen-1-yl)amino)methyl)piperidin-3-ol; (3~{R})-3-[[[6-[(4,4-dimethylpiperidin-1-yl)methyl]naphthalen-1-yl]amino]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-ol |
| 39309 | UF0 ZINC000098209495 |
0 | C16 H31 N4 O11 P | InChI=1S/C16H31N4O11P/c1- 16(2,9-31-32(28,29)30-8-1 0(17)15(26)27)13(24)14(25 )20-4-3-11(22)18-5-6-19-1 2(23)7-21/h10,13,21,24H,3 -9,17H2,1-2H3,(H,18,22)(H ,19,23)(H,20,25)(H,26,27) (H,28,29)/t10-,13-/m0/s1; BKLLNZDPEYUPTK-GWCFXTLKSA-N |
CC(C)(CO[P](O)(=O)OC[CH](N)C(O)=O)[CH](O )C(=O)NCCC(=O)NCCNC(=O)CO; CC(C)(COP(=O) (O)OCC(C(=O)O)N)C(C(=O)NCCC(=O)NCCNC(=O) CO)O; CC(C)(CO[P@@](=O)(O)OC[C@@H](C(=O) O)N)[C@H](C(=O)NCCC(=O)NCCNC(=O)CO)O; CC (C)(CO[P](O)(=O)OC[C@H](N)C(O)=O)[C@@H]( O)C(=O)NCCC(=O)NCCNC(=O)CO |
O-[(R)-hydroxy{[(3R)-3-hydroxy-4-{[3-({2-[(hydroxyacetyl)amino]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]oxy}phosphoryl]-L-serine |
| 39310 | UF2 CHEMBL403945 ZINC000029043591 |
0 | C9 H12 F N2 O8 P | InChI=1S/C9H12FN2O8P/c10- 6-7(14)4(3-19-21(16,17)18 )20-8(6)12-2-1-5(13)11-9( 12)15/h1-2,4,6-8,14H,3H2, (H,11,13,15)(H2,16,17,18) /t4-,6+,7-,8-/m1/s1; RTGGYPQTXNSBPD-PXBUCIJWSA-N |
O[CH]1[CH](F)[CH](O[CH]1CO[P](O)(O)=O)N2 C=CC(=O)NC2=O; O=P(O)(O)OCC2OC(N1C(=O)NC (=O)C=C1)C(F)C2O; C1=CN(C(=O)NC1=O)C2C(C (C(O2)COP(=O)(O)O)O)F; C1=CN(C(=O)NC1=O) [C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O) O)F; O[C@H]1[C@H](F)[C@@H](O[C@@H]1CO[P] (O)(O)=O)N2C=CC(=O)NC2=O |
1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione; 2'-fluoro-2'-deoxyuridine |
| 39311 | UF3 | 1 | C11 H6 Cl N3 O2 | InChI=1S/C11H6ClN3O2/c12- 5-1-2-7-6(3-5)9-8(4-13-7) 14-10(16)11(17)15-9/h1-4H ,(H,14,16)(H,15,17); LKHRQOBJACQEBJ-UHFFFAOYSA-N |
Clc1ccc2ncc3NC(=O)C(=O)Nc3c2c1; c1cc2c(c c1Cl)c3c(cn2)NC(=O)C(=O)N3 |
9-chloranyl-1,4-dihydropyrazino[2,3-c]quinoline-2,3-dione |
| 39312 | UF4 | 1 | C26 H25 N5 O3 | InChI=1S/C26H25N5O3/c1-26 (2,27)9-8-17-10-20-25(29- 12-17)31(16-30-20)14-18-4 -6-21-22(11-18)33-15-23(3 4-21)19-5-7-24(32-3)28-13 -19/h4-7,10-13,16,23H,14- 15,27H2,1-3H3/t23-/m1/s1; DRBFONOVLOXKJM-HSZRJFAPSA-N |
CC(C)(C#Cc1cc2c(nc1)n(cn2)Cc3ccc4c(c3)OC C(O4)c5ccc(nc5)OC)N; COc1ccc(cn1)[C@H]2C Oc3cc(Cn4cnc5cc(cnc45)C#CC(C)(C)N)ccc3O2 ; COc1ccc(cn1)[CH]2COc3cc(Cn4cnc5cc(cnc4 5)C#CC(C)(C)N)ccc3O2; CC(C)(C#Cc1cc2c(nc 1)n(cn2)Cc3ccc4c(c3)OC[C@@H](O4)c5ccc(nc 5)OC)N; CC(N)(C#Cc1cnc2n(cnc2c1)Cc3cc4c( cc3)OC(CO4)c5cnc(cc5)OC)C |
4-(3-{[(2S)-2-(6-methoxypyridin-3-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl}-3H-imidazo[4,5-b]pyridin-6-yl)-2-methylbut-3-yn-2-amine |
| 39313 | UF5 | 5 | C8 H9 Cl N2 O2 S2 | InChI=1S/C8H9ClN2O2S2/c9- 7-3-6-8(14-7)15(12,13)10- 4-11(6)5-1-2-5/h3,5,10H,1 -2,4H2; PJOUJJTUKBFKPV-UHFFFAOYSA-N |
Clc1sc2c(c1)N(CN[S]2(=O)=O)C3CC3; c1c2c( sc1Cl)S(=O)(=O)NCN2C3CC3 |
6-chloranyl-4-cyclopropyl-2,3-dihydrothieno[3,2-e][1,2,4]thiadiazine 1,1-dioxide |
| 39314 | UF6 | 2 | C23 H32 N4 O6 | InChI=1S/C23H32N4O6/c28-1 5-20-22(30)23(31)21(29)14 -26(20)10-4-2-1-3-7-25-18 -11-17(12-19(13-18)27(32) 33)16-5-8-24-9-6-16/h5-6, 8-9,11-13,20-23,25,28-31H ,1-4,7,10,14-15H2/t20-,21 +,22-,23-/m0/s1; MVGXUAWNTZOMGP-BJESRGMDSA-N |
c1cnccc1c2cc(cc(c2)[N+](=O)[O-])NCCCCCCN 3CC(C(C(C3CO)O)O)O; c1cnccc1c2cc(cc(c2)[ N+](=O)[O-])NCCCCCCN3C[C@H]([C@@H]([C@H] ([C@@H]3CO)O)O)O; [O-][N+](=O)c1cc(cc(c1 )NCCCCCCN1CC(O)C(O)C(O)C1CO)c1ccncc1; OC [CH]1[CH](O)[CH](O)[CH](O)CN1CCCCCCNc2cc (cc(c2)[N+]([O-])=O)c3ccncc3; OC[C@H]1[C @H](O)[C@@H](O)[C@H](O)CN1CCCCCCNc2cc(cc (c2)[N+]([O-])=O)c3ccncc3 |
(2S,3S,4S,5R)-2-(hydroxymethyl)-1-{6-[3-nitro-5-(pyridin-4-yl)anilino]hexyl}piperidine-3,4,5-triol |
| 39315 | UF7 CHEMBL4747269 |
3 | C29 H28 N6 | InChI=1S/C29H28N6/c30-27- 18-25(28-29(32-27)34-35-3 3-28)21(19-9-3-1-4-10-19) 15-16-31-26-17-24(20-11-5 -2-6-12-20)22-13-7-8-14-2 3(22)26/h1-14,18,21,24,26 ,31H,15-17H2,(H3,30,32,33 ,34,35)/t21-,24+,26+/m1/s 1; PUZMDZNRNPQCRQ-DSBYRVASSA-N |
c1ccc(cc1)C2CC(c3c2cccc3)NCCC(c4ccccc4)c 5cc(nc6c5nn[nH]6)N; C3C(c1ccccc1)c2ccccc 2C3NCCC(c4ccccc4)c5cc(N)nc6c5nnn6; Nc1cc ([CH](CCN[CH]2C[CH](c3ccccc3)c4ccccc24)c 5ccccc5)c6nn[nH]c6n1; c1ccc(cc1)[C@@H]2C [C@@H](c3c2cccc3)NCC[C@H](c4ccccc4)c5cc( nc6c5nn[nH]6)N; Nc1cc([C@H](CCN[C@H]2C[C @@H](c3ccccc3)c4ccccc24)c5ccccc5)c6nn[nH ]c6n1 |
7-[(1R)-1-phenyl-3-{[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine |
| 39316 | UF8 CHEMBL222102 ZINC000003817388 |
2 | C21 H17 N O3 S2 | InChI=1S/C21H17NO3S2/c23- 14-12-16(25-20(13-14)22-8 -10-24-11-9-22)15-4-3-7-1 9-21(15)27-18-6-2-1-5-17( 18)26-19/h1-7,12-13H,8-11 H2; XRKYMMUGXMWDAO-UHFFFAOYSA-N |
c1ccc2c(c1)Sc3cccc(c3S2)C4=CC(=O)C=C(O4) N5CCOCC5; O=C1C=C(OC(=C1)c2cccc3Sc4ccccc 4Sc23)N5CCOCC5 |
2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one; 2-morpholino-6-(thianthren-1-yl)-4H-pyran-4-one |
| 39317 | UF9 | 3 | C23 H25 N5 O5 S | InChI=1S/C23H25N5O5S/c24- 15(23(31)32)8-9-34-11-16- 18(29)19(30)22(33-16)28-1 0-14(7-6-13-4-2-1-3-5-13) 17-20(25)26-12-27-21(17)2 8/h1-5,10,12,15-16,18-19, 22,29-30H,8-9,11,24H2,(H, 31,32)(H2,25,26,27)/t15-, 16+,18+,19+,22+/m0/s1; ARBIWWNISHROOL-XVZIYINBSA-N |
c1ccc(cc1)C#Cc2cn(c3c2c(ncn3)N)C4C(C(C(O 4)CSCCC(C(=O)O)N)O)O; N[CH](CCSC[CH]1O[C H]([CH](O)[CH]1O)n2cc(C#Cc3ccccc3)c4c(N) ncnc24)C(O)=O; c1ccc(cc1)C#Cc2cn(c3c2c(n cn3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)CSCC[ C@@H](C(=O)O)N)O)O; N[C@@H](CCSC[C@H]1O[ C@H]([C@H](O)[C@@H]1O)n2cc(C#Cc3ccccc3)c 4c(N)ncnc24)C(O)=O |
(2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-phenylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid |
| 39318 | UFA CHEMBL4763667 |
4 | C26 H30 N6 | InChI=1S/C26H30N6/c27-24- 17-23(25-26(29-24)31-32-3 0-25)22(20-9-5-2-6-10-20) 15-16-28-21-13-11-19(12-1 4-21)18-7-3-1-4-8-18/h1-1 0,17,19,21-22,28H,11-16H2 ,(H3,27,29,30,31,32)/t19- ,21-,22-/m1/s1; NHADCFXDVDQVFZ-CEMLEFRQSA-N |
Nc1cc([CH](CCN[CH]2CC[CH](CC2)c3ccccc3)c 4ccccc4)c5nn[nH]c5n1; c1ccc(cc1)C(c3cc(n c2c3nnn2)N)CCNC4CCC(CC4)c5ccccc5; c1ccc( cc1)C2CCC(CC2)NCCC(c3ccccc3)c4cc(nc5c4nn [nH]5)N; c1ccc(cc1)C2CCC(CC2)NCC[C@H](c3 ccccc3)c4cc(nc5c4nn[nH]5)N; Nc1cc([C@H]( CCN[C@H]2CC[C@@H](CC2)c3ccccc3)c4ccccc4) c5nn[nH]c5n1 |
7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine |
| 39319 | UFB | 0 | C10 H14 F N2 O9 P | InChI=1S/C10H14FN2O9P/c1- 20-10(4-21-23(17,18)19)7( 15)6(11)8(22-10)13-3-2-5( 14)12-9(13)16/h2-3,6-8,15 H,4H2,1H3,(H,12,14,16)(H2 ,17,18,19)/t6-,7+,8-,10+/ m1/s1; ZYOWQXVTIIKUDO-JIOCBJNQSA-N |
CO[C]1(CO[P](O)(O)=O)O[CH]([CH](F)[CH]1O )N2C=CC(=O)NC2=O; CO[C@@]1([C@H]([C@H]([ C@@H](O1)N2C=CC(=O)NC2=O)F)O)COP(=O)(O)O ; CO[C@@]1(CO[P](O)(O)=O)O[C@H]([C@H](F) [C@@H]1O)N2C=CC(=O)NC2=O; C1(C(F)C(O)C(O 1)(COP(O)(=O)O)OC)N2C(=O)NC(C=C2)=O; COC 1(C(C(C(O1)N2C=CC(=O)NC2=O)F)O)COP(=O)(O )O |
2'-F,4'-beta-OMe Uridine 5'-(dihydrogen phosphate) |
| 39320 | UFD | 2 | C28 H32 N6 | InChI=1S/C28H32N6/c29-24- 19-23(25-26(31-24)33-34-3 2-25)22(20-7-3-1-4-8-20)1 1-18-30-28-15-12-27(13-16 -28,14-17-28)21-9-5-2-6-1 0-21/h1-10,19,22,30H,11-1 8H2,(H3,29,31,32,33,34)/t 22-,27-,28+/m1/s1; XBWRTBUYSVKILQ-OFEZKSIWSA-N |
Nc1cc([C@H](CCNC23CCC(CC2)(CC3)c4ccccc4) c5ccccc5)c6nn[nH]c6n1; c1cccc(c1)C(c3cc( nc2nnnc23)N)CCNC64CCC(CC4)(c5ccccc5)CC6; c1ccc(cc1)C(CCNC23CCC(CC2)(CC3)c4ccccc4 )c5cc(nc6c5nn[nH]6)N; Nc1cc([CH](CCNC23C CC(CC2)(CC3)c4ccccc4)c5ccccc5)c6nn[nH]c6 n1; c1ccc(cc1)[C@@H](CCNC23CCC(CC2)(CC3) c4ccccc4)c5cc(nc6c5nn[nH]6)N |
7-{(1R)-1-phenyl-3-[(4-phenylbicyclo[2.2.2]octan-1-yl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine |
| 39321 | UFE | 1 | C40 H36 Fe N4 O16 | InChI=1S/C40H38N4O16.Fe/c 45-33(46)5-1-17-21(9-37(5 3)54)29-14-27-19(3-7-35(4 9)50)22(10-38(55)56)30(43 -27)15-28-20(4-8-36(51)52 )24(12-40(59)60)32(44-28) 16-31-23(11-39(57)58)18(2 -6-34(47)48)26(42-31)13-2 5(17)41-29;/h13-16H,1-12H 2,(H10,41,42,43,44,45,46, 47,48,49,50,51,52,53,54,5 5,56,57,58,59,60);/q;+2/p -2/b25-13-,26-13-,27-14-, 28-15-,29-14-,30-15-,31-1 6-,32-16-;; UABKTZYUFZQVBH-RGGAHWMASA-L |
C1=C2C(=C(C3=[N]2[Fe]45n6c1c(c(c6C=C7[N] 4=C(C=C8N5C(=C3)C(=C8CCC(=O)O)CC(=O)O)C( =C7CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CCC (=O)O)CC(=O)O; O=C(O)CCC1=C(C2=Cc4c(c(c3 C=C5C(=C(C=6C=C8C(=C(C7=CC1=N2[Fe](n34)( N5=6)N78)CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O )O)CC(=O)O)CCC(=O)O)CC(=O)O; OC(=O)CCC1= C(CC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(= CC8=N|6C(=Cc4c(CCC(O)=O)c3CC(O)=O)C(=C8C CC(O)=O)CC(O)=O)c(CC(O)=O)c7CCC(O)=O |
Fe(III) Uroporphyrin |
| 39322 | UFF | 8 | Fe7 S7 | InChI=1S/7Fe.HS.6S/h;;;;; ;;1H;;;;;;; PVYXUKKSKYTPFX-UHFFFAOYSA-N |
S1[Fe]2S[Fe]3[S]2[Fe]1[S]345[Fe]6[S]7[Fe ]4[S]8[Fe]7[S]6[Fe]58; S1[Fe]S[Fe](S[Fe] 1)[S]23[Fe]S[Fe]S[Fe]2S[Fe]3 |
FE(7)-S(7) CLUSTER |
| 39323 | UFG CHEMBL593125 DB04097 ZINC000016051558 |
6 | C15 H23 F N2 O16 P2 | InChI=1S/C15H23FN2O16P2/c 16-8-5(3-19)32-14(12(24)1 0(8)22)33-36(28,29)34-35( 26,27)30-4-6-9(21)11(23)1 3(31-6)18-2-1-7(20)17-15( 18)25/h1-2,5-6,8-14,19,21 -24H,3-4H2,(H,26,27)(H,28 ,29)(H,17,20,25)/t5-,6-,8 -,9-,10+,11-,12-,13-,14-/ m1/s1; OAPPZHVTNHJVAL-JZMIEXBBSA-N |
C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP (=O)(O)OC3C(C(C(C(O3)CO)F)O)O)O)O; O=P(O C1OC(C(F)C(O)C1O)CO)(O)OP(=O)(O)OCC3OC(N 2C=CC(=O)NC2=O)C(O)C3O; OC[C@H]1O[C@H](O [P@@](O)(=O)O[P@@](O)(=O)OC[C@H]2O[C@H]( [C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O)[C@H](O )[C@@H](O)[C@@H]1F; OC[CH]1O[CH](O[P](O) (=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2 O)N3C=CC(=O)NC3=O)[CH](O)[CH](O)[CH]1F; C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@ H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H] 3[C@@H]([C@H]([C@@H]([C@H](O3)CO)F)O)O)O )O |
URIDINE-5'-DIPHOSPHATE-4-DEOXY-4-FLUORO-ALPHA-D-GALACTOSE |
| 39324 | UFH | 1 | C10 H7 Br N2 O | InChI=1S/C10H7BrN2O/c11-1 0-5-9(2-1-8(10)6-14)13-4- 3-12-7-13/h1-7H; KDYPLUPJLQBYJO-UHFFFAOYSA-N |
c1cc(c(cc1n2ccnc2)Br)C=O; Brc1cc(ccc1C=O )n2ccnc2 |
2-bromanyl-4-imidazol-1-yl-benzaldehyde |
| 39325 | UFI | 2 | C13 H9 N O4 | InChI=1S/C13H9NO4/c1-18-1 0-6-5-9-11-7(10)3-2-4-8(1 1)12(15)14(17)13(9)16/h2- 6,17H,1H3; JNZJPCRGQNFNFC-UHFFFAOYSA-N |
COc1ccc2c3c1cccc3C(=O)N(C2=O)O; COc1ccc2 C(=O)N(O)C(=O)c3cccc1c23 |
6-methoxy-2-oxidanyl-benzo[de]isoquinoline-1,3-dione |
| 39326 | UFJ CHEMBL1091578 ZINC000049073018 |
4 | C14 H19 I N2 O3 | InChI=1S/C14H19IN2O3/c15- 11-7-9-12(10-8-11)16-13(1 8)5-3-1-2-4-6-14(19)17-20 /h7-10,20H,1-6H2,(H,16,18 )(H,17,19); BYVHZKAHBXINPL-UHFFFAOYSA-N |
c1c(ccc(c1)NC(CCCCCCC(=O)NO)=O)I; c1cc(c cc1NC(=O)CCCCCCC(=O)NO)I; ONC(=O)CCCCCCC (=O)Nc1ccc(I)cc1 |
N~1~-hydroxy-N~8~-(4-iodophenyl)octanediamide |
| 39327 | UFK CHEMBL540956 |
2 | C45 H36 O18 | InChI=1S/C45H36O18/c46-18 -10-27(54)33-31(11-18)62- 45(17-3-6-22(49)26(53)9-1 7)44(59)38(33)36-32(63-45 )14-29(56)35-37(39(58)41( 61-43(35)36)16-2-5-21(48) 25(52)8-16)34-28(55)13-23 (50)19-12-30(57)40(60-42( 19)34)15-1-4-20(47)24(51) 7-15/h1-11,13-14,30,37-41 ,44,46-59H,12H2/t30-,37+, 38-,39-,40-,41-,44-,45+/m 1/s1; BYSRPHRKESMCPO-LQNPQWRQSA-N |
c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(c(c3O2)[ C@H]4c5c(cc6c(c5O[C@@H]([C@@H]4O)c7ccc(c (c7)O)O)[C@H]8c9c(cc(cc9O[C@]([C@@H]8O)( O6)c1ccc(c(c1)O)O)O)O)O)O)O)O)O)O; O[CH] 1Cc2c(O)cc(O)c([CH]3[CH](O)[CH](Oc4c3c(O )cc5O[C]6(Oc7cc(O)cc(O)c7[CH]([CH]6O)c45 )c8ccc(O)c(O)c8)c9ccc(O)c(O)c9)c2O[CH]1c %10ccc(O)c(O)c%10; O[C@@H]1Cc2c(O)cc(O)c ([C@@H]3[C@@H](O)[C@H](Oc4c3c(O)cc5O[C@@ ]6(Oc7cc(O)cc(O)c7[C@@H]([C@H]6O)c45)c8c cc(O)c(O)c8)c9ccc(O)c(O)c9)c2O[C@@H]1c%1 0ccc(O)c(O)c%10; c1cc(c(cc1C2C(Cc3c(cc(c (c3O2)C4c5c(cc6c(c5OC(C4O)c7ccc(c(c7)O)O )C8c9c(cc(cc9OC(C8O)(O6)c1ccc(c(c1)O)O)O )O)O)O)O)O)O)O |
Cinnamtannin B1; (1R,5R,6R,7S,13S,21R)-5,13-bis(3,4-dihydroxyphenyl)-7-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol |
| 39328 | UFM CHEMBL227711 DB02421 |
1 | C15 H24 N2 O17 P2 | InChI=1S/C15H24N2O17P2/c1 8-3-5-8(20)10(22)12(24)14 (32-5)33-36(28,29)34-35(2 6,27)30-4-6-9(21)11(23)13 (31-6)17-2-1-7(19)16-15(1 7)25/h1-2,5-6,8-14,18,20- 24H,3-4H2,(H,26,27)(H,28, 29)(H,16,19,25)/t5-,6-,8- ,9-,10+,11-,12+,13-,14-/m 1/s1; HSCJRCZFDFQWRP-NYYOCOOHSA-N |
OC[C@H]1O[C@H](O[P@@](O)(=O)O[P@@](O)(=O )OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC( =O)NC3=O)[C@@H](O)[C@@H](O)[C@@H]1O; C1= CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H]( O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C @H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O; OC[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH ]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[C H](O)[CH](O)[CH]1O; O=P(OC1OC(C(O)C(O)C1 O)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O) C(O)C3O; C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP (=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O )O |
URIDINE-5'-DIPHOSPHATE-MANNOSE |
| 39329 | UFN | 1 | C45 H38 O18 | InChI=1S/C45H38O18/c46-18 -10-27(54)33-31(11-18)62- 45(17-3-6-22(49)26(53)9-1 7)44(59)38(33)36-32(63-45 )14-29(56)35-37(39(58)41( 61-43(35)36)16-2-5-21(48) 25(52)8-16)34-28(55)13-23 (50)19-12-30(57)40(60-42( 19)34)15-1-4-20(47)24(51) 7-15/h1-11,13,29-30,37-41 ,44,46-59H,12,14H2/t29-,3 0+,37-,38+,39+,40+,41+,44 +,45-/m0/s1; GTLDPRJUMQNNPF-PUHQMIONSA-N |
c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(c(c3O2)[ C@@H]4[C@H]([C@H](OC5=C4[C@H](CC6=C5[C@H ]7c8c(cc(cc8O[C@]([C@@H]7O)(O6)c9ccc(c(c 9)O)O)O)O)O)c1ccc(c(c1)O)O)O)O)O)O)O)O; c1cc(c(cc1C2C(Cc3c(cc(c(c3O2)C4C(C(OC5=C 4C(CC6=C5C7c8c(cc(cc8OC(C7O)(O6)c9ccc(c( c9)O)O)O)O)O)c1ccc(c(c1)O)O)O)O)O)O)O)O; O[CH]1Cc2c(O)cc(O)c([CH]3[CH](O)[CH](OC 4=C3[CH](O)CC5=C4[CH]6[CH](O)[C](O5)(Oc7 cc(O)cc(O)c67)c8ccc(O)c(O)c8)c9ccc(O)c(O )c9)c2O[CH]1c%10ccc(O)c(O)c%10; O[C@@H]1 Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](OC4= C3[C@@H](O)CC5=C4[C@@H]6[C@@H](O)[C@](O5 )(Oc7cc(O)cc(O)c67)c8ccc(O)c(O)c8)c9ccc( O)c(O)c9)c2O[C@@H]1c%10ccc(O)c(O)c%10 |
Modified form of Cinnamtannin B1 with sp3 hybridized C5'; Cca6 |
| 39330 | UFO DB08685 ZINC000004200686 |
4 | C11 H17 N3 | InChI=1S/C11H17N3/c1-13-5 -6-14(2)11-7-9(8-12)3-4-1 0(11)13/h3-4,7H,5-6,8,12H 2,1-2H3; TWGYATHIWDUKGY-UHFFFAOYSA-N |
CN1CCN(c2c1ccc(c2)CN)C; CN1CCN(C)c2cc(CN )ccc12; c2c(cc1c(N(CCN1C)C)c2)CN |
1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine |
| 39331 | UFP CHEMBL886 DB03761 ZINC000003875881 |
228 | C9 H12 F N2 O8 P | InChI=1S/C9H12FN2O8P/c10- 4-2-12(9(15)11-8(4)14)7-1 -5(13)6(20-7)3-19-21(16,1 7)18/h2,5-7,13H,1,3H2,(H, 11,14,15)(H2,16,17,18)/t5 -,6+,7+/m0/s1; HFEKDTCAMMOLQP-RRKCRQDMSA-N |
C1C(C(OC1N2C=C(C(=O)NC2=O)F)COP(=O)(O)O) O; C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2= O)F)COP(=O)(O)O)O; O[CH]1C[CH](O[CH]1CO[ P](O)(O)=O)N2C=C(F)C(=O)NC2=O; FC=1C(=O) NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O; O[C @H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=C( F)C(=O)NC2=O |
5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE |
| 39332 | UFQ | 4 | C9 H16 N3 O13 P3 S | InChI=1S/C9H16N3O13P3S/c1 0-5-1-2-12(9(15)11-5)8-7( 14)6(13)4(23-8)3-22-26(16 ,17)24-27(18,19)25-28(20, 21)29/h1-2,4,6-8,13-14H,3 H2,(H,16,17)(H,18,19)(H2, 10,11,15)(H2,20,21,29)/t4 -,6-,7-,8-/m1/s1; BMMOFBYKCSBIJP-XVFCMESISA-N |
NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P](O)( =O)O[P](O)(=O)O[P](O)(S)=O)[C@@H](O)[C@H ]2O; NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O )(=O)O[P](O)(=O)O[P](O)(S)=O)[CH](O)[CH] 2O; C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)( O)OP(=O)(O)OP(=O)(O)S)O)O; C1=CN(C(=O)N= C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O) (O)OP(=O)(O)OP(=O)(O)S)O)O |
Cytosine 5'-[gamma-thio]triphosphate; [[[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphinic acid |
| 39333 | UFR CHEMBL1236552 |
0 | C10 H13 N2 O9 P | InChI=1S/C10H13N2O9P/c13- 3-5-2-12(10(16)11-9(5)15) 8-1-6(14)7(21-8)4-20-22(1 7,18)19/h2-3,6-8,14H,1,4H 2,(H,11,15,16)(H2,17,18,1 9)/t6-,7+,8+/m0/s1; LVYWYEBCBRVIEG-XLPZGREQSA-N |
O=CC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(= O)(O)O; O[C@H]1C[C@@H](O[C@@H]1CO[P](O)( O)=O)N2C=C(C=O)C(=O)NC2=O; C1[C@@H]([C@H ](O[C@H]1N2C=C(C(=O)NC2=O)C=O)COP(=O)(O) O)O; O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C =C(C=O)C(=O)NC2=O; C1C(C(OC1N2C=C(C(=O)N C2=O)C=O)COP(=O)(O)O)O |
2'-DEOXY-5-FORMYLURIDINE 5'-(DIHYDROGEN PHOSPHATE) |
| 39334 | UFS ZINC000071746269 |
1 | C27 H31 N3 O5 | InChI=1S/C27H31N3O5/c1-2- 3-6-9-24(31)28-22-16-12-2 0(13-17-22)27(34)21-14-18 -23(19-15-21)29-25(32)10- 7-4-5-8-11-26(33)30-35/h1 ,12-19,35H,3-11H2,(H,28,3 1)(H,29,32)(H,30,33); VHTATGLVGGHVIS-UHFFFAOYSA-N |
C#CCCCC(=O)Nc1ccc(cc1)C(=O)c2ccc(cc2)NC( =O)CCCCCCC(=O)NO; c1cc(NC(CCCCCCC(NO)=O) =O)ccc1C(c2ccc(cc2)NC(CCCC#C)=O)=O; ONC( =O)CCCCCCC(=O)Nc1ccc(cc1)C(=O)c2ccc(NC(= O)CCCC#C)cc2 |
N~1~-(4-{4-[(hex-5-ynoyl)amino]benzene-1-carbonyl}phenyl)-N~8~-hydroxyoctanediamide |
| 39335 | UFT CHEMBL253539 ZINC000013604346 |
5 | C9 H12 F N2 O8 P | InChI=1S/C9H12FN2O8P/c10- 6-7(14)4(3-19-21(16,17)18 )20-8(6)12-2-1-5(13)11-9( 12)15/h1-2,4,6-8,14H,3H2, (H,11,13,15)(H2,16,17,18) /t4-,6-,7-,8-/m1/s1; RTGGYPQTXNSBPD-XVFCMESISA-N |
O[CH]1[CH](F)[CH](O[CH]1CO[P](O)(O)=O)N2 C=CC(=O)NC2=O; O=P(O)(O)OCC2OC(N1C(=O)NC (=O)C=C1)C(F)C2O; C1=CN(C(=O)NC1=O)[C@H] 2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F; O[C@H]1[C@@H](F)[C@@H](O[C@@H]1CO[P](O) (O)=O)N2C=CC(=O)NC2=O; C1=CN(C(=O)NC1=O) C2C(C(C(O2)COP(=O)(O)O)O)F |
2'-deoxy-2'-fluorouridine 5'-(dihydrogen phosphate) |
| 39336 | UFU | 4 | C41 H50 Co N6 O5 S | InChI=1S/C41H52N6O5S.Co/c 1-40(2,3)28-13-9-11-26(36 (28)49)22-44-30-18-17-25( 21-31(30)45-23-27-12-10-1 4-29(37(27)50)41(4,5)6)38 (51)43-20-19-42-34(48)16- 8-7-15-33-35-32(24-53-33) 46-39(52)47-35;/h9-14,17- 18,21-23,32-33,35H,7-8,15 -16,19-20,24H2,1-6H3,(H6, 42,43,44,45,46,47,48,49,5 0,51,52);/q;+2/p-2/t32-,3 3-,35-;/m0./s1; GGMGBRLOTHARHT-SZKYPABLSA-L |
CC(C)(C)c1cccc2c1O[Co]34=[N](C=C5C=CC=C( C5=O3)C(C)(C)C)c6cc(ccc6[N]4=C2)C(=O)NCC NC(=O)CCCCC7C8C(CS7)NC(=O)N8; CC(C)(C)C1 =CC=CC(=CNc2cc(ccc2N=Cc3cccc(c3O[Co])C(C )(C)C)C(=O)NCCNC(=O)CCCC[CH]4SC[CH]5NC(= O)N[CH]45)C1=O; CC(C)(C)c1cccc2c1O[Co]34 =[N](C=C5C=CC=C(C5=O3)C(C)(C)C)c6cc(ccc6 [N]4=C2)C(=O)NCCNC(=O)CCCC[C@H]7[C@@H]8[ C@H](CS7)NC(=O)N8; CC(C)(C)C1=CC=CC(=CNc 2cc(ccc2N=Cc3cccc(c3O[Co])C(C)(C)C)C(=O) NCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H ]45)C1=O |
cobalt Streptavidin |
| 39337 | UFV ZINC000000152846 |
1 | C7 H6 Br F3 N2 | InChI=1S/C7H6BrF3N2/c8-4- 1-3(7(9,10)11)2-5(12)6(4) 13/h1-2H,12-13H2; OVGAPUVMLZWQQF-UHFFFAOYSA-N |
c1c(cc(c(c1N)N)Br)C(F)(F)F; Nc1cc(cc(Br) c1N)C(F)(F)F |
3-BROMO-5-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE |
| 39338 | UFW | 2 | C32 H43 Au N5 O2 S | InChI=1S/C32H43N5O2S.Au/c 1-19-11-21(3)30(22(4)12-1 9)36-16-25(37(18-36)31-23 (5)13-20(2)14-24(31)6)15- 33-28(38)10-8-7-9-27-29-2 6(17-40-27)34-32(39)35-29 ;/h11-14,25-27,29H,7-10,1 5-17H2,1-6H3,(H,33,38)(H2 ,34,35,39);/t25-,26-,27-, 29-;/m0./s1; MQANASQMIINTPK-INIVJQHFSA-N |
Cc1cc(c(c(c1)C)N2C[C@@H](N(C2=[Au])c3c(c c(cc3C)C)C)CNC(=O)CCCC[C@H]4[C@@H]5[C@H] (CS4)NC(=O)N5)C; Cc1cc(c(c(c1)C)N2CC(N(C 2=[Au])c3c(cc(cc3C)C)C)CNC(=O)CCCCC4C5C( CS4)NC(=O)N5)C; Cc1cc(C)c(N2C[C@H](CNC(= O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)N(C 2=[Au])c5c(C)cc(C)cc5C)c(C)c1; Cc1cc(C)c (N2C[CH](CNC(=O)CCCC[CH]3SC[CH]4NC(=O)N[ CH]34)N(C2=[Au])c5c(C)cc(C)cc5C)c(C)c1 |
((4S)-1,3-dimesityl-4-((5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)methyl)imidazolidin-2-yl)gold; [(4~{S})-4-[[5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]methyl]-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]gold; [(4S)-4-[[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]methyl]-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]gold |
| 39339 | UFX | 1 | C19 H18 F2 N2 O4 | InChI=1S/C19H18F2N2O4/c1- 19(26,18(20)21)15(17(25)2 3-27)22-16(24)14-10-8-13( 9-11-14)5-3-2-4-12-6-7-12 /h8-12,15,18,26-27H,6-7H2 ,1H3,(H,22,24)(H,23,25)/t 15-,19+/m1/s1; NPTNDHDCCLLFJE-BEFAXECRSA-N |
FC(F)C(C)(O)C(NC(=O)c1ccc(cc1)C#CC#CC1CC 1)C(=O)NO; CC(C(C(=O)NO)NC(=O)c1ccc(cc1) C#CC#CC2CC2)(C(F)F)O; C[C@@](O)(C(F)F)[C @H](NC(=O)c1ccc(cc1)C#CC#CC2CC2)C(=O)NO; C[C@]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C# CC#CC2CC2)(C(F)F)O; C[C](O)(C(F)F)[CH](N C(=O)c1ccc(cc1)C#CC#CC2CC2)C(=O)NO |
4-(4-cyclopropylbuta-1,3-diyn-1-yl)-N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide |
| 39340 | UFY CHEMBL4858320 ZINC000169993369 |
2 | C19 H25 B N4 O4 | InChI=1S/C19H25BN4O4/c1-1 3(2)10-17(20(27)28)24-18( 25)15(11-14-6-4-3-5-7-14) 23-19(26)16-12-21-8-9-22- 16/h3-9,12-13,15,17,27-28 H,10-11H2,1-2H3,(H,23,26) (H,24,25)/t15-,17+/m1/s1; GXJABQQUPOEUTA-WBVHZDCISA-N |
CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)c2 cnccn2)B(O)O; B(C(CC(C)C)NC(=O)C(Cc1cccc c1)NC(=O)c2cnccn2)(O)O; CC(C)C[C@H](NC(= O)[C@@H](Cc1ccccc1)NC(=O)c2cnccn2)B(O)O; B([C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)N C(=O)c2cnccn2)(O)O; c1cncc(n1)C(NC(Cc2cc ccc2)C(=O)NC(CC(C)C)B(O)O)=O |
N-[(1R)-1-borono-3-methylbutyl]-Nalpha-(pyrazine-2-carbonyl)-D-phenylalaninamide |
| 39341 | UFZ | 2 | C7 H10 N | InChI=1S/C7H9N/c8-6-7-4-2 -1-3-5-7/h1-5H,6,8H2/p+1; WGQKYBSKWIADBV-UHFFFAOYSA-O |
c1ccc(cc1)C[NH3+]; [NH3+]Cc1ccccc1 | (phenylmethyl)azanium |
| 39342 | UG0 | 1 | C14 H13 F N2 O | InChI=1S/C14H13FN2O/c1-10 -2-4-11(5-3-10)8-17-14(18 )12-6-7-13(15)16-9-12/h2- 7,9H,8H2,1H3,(H,17,18); QKRGNSPFHXLCPB-UHFFFAOYSA-N |
Cc1ccc(cc1)CNC(=O)c2ccc(nc2)F; Cc1ccc(CN C(=O)c2ccc(F)nc2)cc1 |
6-fluoranyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide |
| 39343 | UG1 CHEMBL4955084 ZINC000170612076 |
0 | C9 H9 N5 O | InChI=1S/C9H9N5O/c10-8-7( 9(11)15)13-5-14(8)6-1-3-1 2-4-2-6/h1-5H,10H2,(H2,11 ,15); JYYYJULWGCNUJZ-UHFFFAOYSA-N |
c1cnccc1n2cnc(c2N)C(=O)N; NC(=O)c1ncn(c2 ccncc2)c1N; C(c1ncn(c1N)c2ccncc2)(N)=O |
5-amino-1-(pyridin-4-yl)-1H-imidazole-4-carboxamide |
| 39344 | UG2 | 1 | C16 H14 N2 O | InChI=1S/C16H14N2O/c19-12 -13-6-8-15(9-7-13)18-11-1 0-17-16(18)14-4-2-1-3-5-1 4/h1-11,19H,12H2; SRMFZVQQLQNFMA-UHFFFAOYSA-N |
OCc1ccc(cc1)n2ccnc2c3ccccc3; c1ccc(cc1)c 2nccn2c3ccc(cc3)CO |
[4-(2-phenylimidazol-1-yl)phenyl]methanol |
| 39345 | UG3 | 1 | H7 O16 P5 | InChI=1S/H7O16P5/c1-17(2, 3)13-19(7,8)15-21(11,12)1 6-20(9,10)14-18(4,5)6/h(H ,7,8)(H,9,10)(H,11,12)(H2 ,1,2,3)(H2,4,5,6); QTPILKSJIOLICA-UHFFFAOYSA-N |
OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(= O)(O)O; O[P](O)(=O)O[P](O)(=O)O[P](O)(=O )O[P](O)(=O)O[P](O)(O)=O |
bis[oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate |
| 39346 | UG4 ZINC000098209728 |
0 | C9 H9 N5 O | InChI=1S/C9H9N5O/c10-8-7( 9(11)15)13-5-14(8)6-2-1-3 -12-4-6/h1-5H,10H2,(H2,11 ,15); WZVCHXNAUQIDJM-UHFFFAOYSA-N |
c1cc(cnc1)n2cnc(c2N)C(=O)N; c1(cccnc1)n2 c(c(nc2)C(N)=O)N; NC(=O)c1ncn(c2cccnc2)c 1N |
5-amino-1-(pyridin-3-yl)-1H-imidazole-4-carboxamide |
| 39347 | UG5 | 1 | C11 H7 F3 N2 O | InChI=1S/C11H7F3N2O/c12-1 1(13,14)10-5-16(7-15-10)9 -3-1-8(6-17)2-4-9/h1-7H; CZOGMUWEFPDSOJ-UHFFFAOYSA-N |
FC(F)(F)c1cn(cn1)c2ccc(C=O)cc2; c1cc(ccc 1C=O)n2cc(nc2)C(F)(F)F |
4-[4-(trifluoromethyl)imidazol-1-yl]benzaldehyde |
| 39348 | UG6 ZINC000004521105 |
1 | C6 H11 N O3 S | InChI=1S/C6H11NO3S/c1-4(8 )7-5(3-11)6(9)10-2/h5,11H ,3H2,1-2H3,(H,7,8)/t5-/m0 /s1; QTKAQJWFVXPIFV-YFKPBYRVSA-N |
COC(=O)[CH](CS)NC(C)=O; COC(=O)[C@H](CS) NC(C)=O; COC(=O)C(NC(=O)C)CS; CC(=O)N[C@ @H](CS)C(=O)OC; CC(=O)NC(CS)C(=O)OC |
methyl N-acetyl-L-cysteinate |
| 39349 | UG7 CHEMBL5077328 |
1 | C26 H28 F3 N5 O3 S2 | InChI=1S/C26H28F3N5O3S2/c 27-26(28,29)39(36,37)33-8 -6-20(7-9-33)34-15-22(17- 2-1-3-18(11-17)24(30)38)2 1-5-4-16(10-23(21)34)12-3 2-25(35)19-13-31-14-19/h1 -5,10-11,15,19-20,31H,6-9 ,12-14H2,(H2,30,38)(H,32, 35); WDQKQCWRQIVDBA-UHFFFAOYSA-N |
c1cc(cc(c1)C(=S)N)c2cn(c3c2ccc(c3)CNC(=O )C4CNC4)C5CCN(CC5)S(=O)(=O)C(F)(F)F; NC( =S)c1cccc(c1)c2cn(C3CCN(CC3)[S](=O)(=O)C (F)(F)F)c4cc(CNC(=O)C5CNC5)ccc24; c1cc(c c(c1)c5c2c(cc(cc2)CNC(C3CNC3)=O)n(C4CCN( CC4)S(C(F)(F)F)(=O)=O)c5)C(N)=S |
N-{[3-(3-carbamothioylphenyl)-1-{1-[(trifluoromethyl)sulfonyl]piperidin-4-yl}-1H-indol-6-yl]methyl}azetidine-3-carboxamide |
| 39350 | UG8 ZINC000032501227 |
1 | C12 H15 N O3 S | InChI=1S/C12H15NO3S/c14-1 0-11-4-6-12(7-5-11)17(15, 16)13-8-2-1-3-9-13/h4-7,1 0H,1-3,8-9H2; KUSDDEPOUVZOCG-UHFFFAOYSA-N |
c1cc(ccc1C=O)S(=O)(=O)N2CCCCC2; O=Cc1ccc (cc1)[S](=O)(=O)N2CCCCC2 |
4-piperidin-1-ylsulfonylbenzaldehyde |
| 39351 | UG9 | 2 | C15 H20 I N5 O5 S | InChI=1S/C15H20IN5O5S/c16 -6-3-21(13-9(6)12(18)19-5 -20-13)14-11(23)10(22)8(2 6-14)4-27-2-1-7(17)15(24) 25/h3,5,7-8,10-11,14,22-2 3H,1-2,4,17H2,(H,24,25)(H 2,18,19,20)/t7-,8+,10+,11 +,14+/m0/s1; KWPUSSSCXHTEIW-TWBCTODHSA-N |
N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1 O)n2cc(I)c3c(N)ncnc23)C(O)=O; c1c(c2c(nc nc2n1C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N)I; c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H] (O3)CSCC[C@@H](C(=O)O)N)O)O)N)I; N[CH](C CSC[CH]1O[CH]([CH](O)[CH]1O)n2cc(I)c3c(N )ncnc23)C(O)=O |
(2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-iodanyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid |
| 39352 | UGA CHEMBL228057 DB03041 ZINC000008215691 |
71 | C15 H22 N2 O18 P2 | InChI=1S/C15H22N2O18P2/c1 8-5-1-2-17(15(26)16-5)12- 9(22)6(19)4(32-12)3-31-36 (27,28)35-37(29,30)34-14- 10(23)7(20)8(21)11(33-14) 13(24)25/h1-2,4,6-12,14,1 9-23H,3H2,(H,24,25)(H,27, 28)(H,29,30)(H,16,18,26)/ t4-,6-,7+,8+,9-,10-,11+,1 2-,14-/m1/s1; HDYANYHVCAPMJV-LXQIFKJMSA-N |
O=C(O)C3OC(OP(=O)(O)OP(=O)(O)OCC2OC(N1C( =O)NC(=O)C=C1)C(O)C2O)C(O)C(O)C3O; O[CH] 1[CH](O)[CH](O[CH]([CH]1O)C(O)=O)O[P](O) (=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2 O)N3C=CC(=O)NC3=O; C1=CN(C(=O)NC1=O)[C@H ]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O [P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]( [C@H](O3)C(=O)O)O)O)O)O)O; O[C@@H]1[C@@H ](O)[C@H](O[C@@H]([C@H]1O)C(O)=O)O[P@@]( O)(=O)O[P@@](O)(=O)OC[C@H]2O[C@H]([C@H]( O)[C@@H]2O)N3C=CC(=O)NC3=O; C1=CN(C(=O)N C1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C( C(C(C(O3)C(=O)O)O)O)O)O)O |
URIDINE-5'-DIPHOSPHATE-GLUCURONIC ACID; UDP-GLUCURONIC ACID |
| 39353 | UGB ZINC000008551198 |
9 | C15 H22 N2 O18 P2 | InChI=1S/C15H22N2O18P2/c1 8-5-1-2-17(15(26)16-5)12- 9(22)6(19)4(32-12)3-31-36 (27,28)35-37(29,30)34-14- 10(23)7(20)8(21)11(33-14) 13(24)25/h1-2,4,6-12,14,1 9-23H,3H2,(H,24,25)(H,27, 28)(H,29,30)(H,16,18,26)/ t4-,6-,7+,8-,9-,10-,11+,1 2-,14-/m1/s1; HDYANYHVCAPMJV-GXNRKQDOSA-N |
O[CH]1[CH](O)[CH](O[CH]([CH]1O)C(O)=O)O[ P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O) [CH]2O)N3C=CC(=O)NC3=O; O[C@@H]1[C@@H](O )[C@H](O[C@@H]([C@@H]1O)C(O)=O)O[P](O)(= O)O[P](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@ H]2O)N3C=CC(=O)NC3=O; C1=CN(C(=O)NC1=O)C 2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C( O3)C(=O)O)O)O)O)O)O; C1=CN(C(=O)NC1=O)[C @H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O )O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H] ([C@H](O3)C(=O)O)O)O)O)O)O; O=C1C=CN(C(= O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C (=O)O)C(O)C(O)C3O)O)O |
(2S,3R,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid |
| 39354 | UGC ZINC000094437740 |
4 | C3 H6 N2 O4 | InChI=1S/C3H6N2O4/c4-3(9) 5-1(6)2(7)8/h1,6H,(H,7,8) (H3,4,5,9)/t1-/m0/s1; NWZYYCVIOKVTII-SFOWXEAESA-N |
O=C(O)C(O)NC(=O)N; NC(=O)N[C@@H](O)C(O)= O; C(C(=O)O)(NC(=O)N)O; [C@H](C(=O)O)(NC (=O)N)O; NC(=O)N[CH](O)C(O)=O |
(2S)-(carbamoylamino)(hydroxy)ethanoic acid; (S)-Ureidoglycolate |
| 39355 | UGD | 1 | C15 H14 N4 O3 | InChI=1S/C15H14N4O3/c20-1 3(4-10-7-16-9-17-8-10)18- 11-2-1-3-12(5-11)22-15-6- 14(21)19-15/h1-3,5,7-9,15 H,4,6H2,(H,18,20)(H,19,21 )/t15-/m1/s1; SGVQMOZIVBYLOT-OAHLLOKOSA-N |
c1cc(cc(c1)OC2CC(=O)N2)NC(=O)Cc3cncnc3; c1cc(cc(c1)O[C@@H]2CC(=O)N2)NC(=O)Cc3cnc nc3; n1cncc(c1)CC(Nc3cccc(OC2NC(C2)=O)c3 )=O; O=C1C[C@H](N1)Oc2cccc(NC(=O)Cc3cncn c3)c2; O=C1C[CH](N1)Oc2cccc(NC(=O)Cc3cnc nc3)c2 |
N-(3-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide |
| 39356 | UGE | 1 | C16 H15 N O3 S | InChI=1S/C16H15NO3S/c18-1 2-13-7-9-15(10-8-13)21(19 ,20)17-11-3-5-14-4-1-2-6- 16(14)17/h1-2,4,6-10,12H, 3,5,11H2; DGDWAMQMUQVWBK-UHFFFAOYSA-N |
c1ccc2c(c1)CCCN2S(=O)(=O)c3ccc(cc3)C=O; O=Cc1ccc(cc1)[S](=O)(=O)N2CCCc3ccccc23 |
4-(3,4-dihydro-2~{H}-quinolin-1-ylsulfonyl)benzaldehyde |
| 39357 | UGF | 2 | C15 H21 F N2 O17 P2 | InChI=1S/C15H21FN2O17P2/c 16-6-8(21)10(23)14(33-11( 6)13(24)25)34-37(29,30)35 -36(27,28)31-3-4-7(20)9(2 2)12(32-4)18-2-1-5(19)17- 15(18)26/h1-2,4,6-12,14,2 0-23H,3H2,(H,24,25)(H,27, 28)(H,29,30)(H,17,19,26)/ t4-,6+,7-,8+,9-,10-,11+,1 2-,14-/m1/s1; LVBLRZZISSCAOI-CTMYAEKBSA-N |
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@ H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]( [C@H]([C@@H]([C@H](O3)C(=O)O)F)O)O)O)O; O[C@@H]1[C@@H](O)[C@H](O[C@@H]([C@H]1F)C (O)=O)O[P](O)(=O)O[P](O)(=O)OC[C@H]2O[C@ H]([C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O; C1= CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O )(O)OC3C(C(C(C(O3)C(=O)O)F)O)O)O)O; O[CH ]1[CH](O)[CH](O[CH]([CH]1F)C(O)=O)O[P](O )(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH] 2O)N3C=CC(=O)NC3=O |
(2~{R},3~{S},4~{R},5~{R},6~{R})-6-[[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidany l)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3-fluoranyl-4,5-bis(oxidanyl)oxane-2-carboxylic acid; UDP-4-Deoxy-4-Fluoro-Glucuronic acid |
| 39358 | UGG | 1 | C17 H14 N2 O | InChI=1S/C17H14N2O/c20-17 (19-15-7-2-1-3-8-15)10-14 -12-18-11-13-6-4-5-9-16(1 3)14/h1-9,11-12H,10H2,(H, 19,20); XBRJTBLYIAYTOZ-UHFFFAOYSA-N |
O=C(Cc1cncc2ccccc12)Nc3ccccc3; N(c1ccccc 1)C(=O)Cc2c3c(cnc2)cccc3; c1ccc(cc1)NC(= O)Cc2cncc3c2cccc3 |
2-(isoquinolin-4-yl)-N-phenylacetamide |
| 39359 | UGH CHEMBL1201382 ZINC000004097420 |
1 | C5 H14 N2 S | InChI=1S/C5H14N2S/c6-2-1- 3-7-4-5-8/h7-8H,1-6H2; YHPLKWQJMAYFCN-UHFFFAOYSA-N |
NCCCNCCS; C(CN)CNCCS | WR-1065 |
| 39360 | UGI | 2 | C18 H21 F3 N6 O | InChI=1S/C18H21F3N6O/c19- 18(20,21)13-9-15(22)23-11 -12(13)14-10-16(26-5-7-28 -8-6-26)25-17(24-14)27-3- 1-2-4-27/h9-11H,1-8H2,(H2 ,22,23); FOSBFIXEYMDXIL-UHFFFAOYSA-N |
Nc1cc(c(cn1)c2cc(nc(n2)N3CCCC3)N4CCOCC4) C(F)(F)F; c1c(c(cnc1N)c2cc(nc(n2)N3CCCC3 )N4CCOCC4)C(F)(F)F |
5-(6-morpholin-4-yl-2-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine |
| 39361 | UGJ CHEMBL2313832 ZINC000095595974 |
1 | C15 H8 Cl N5 S | InChI=1S/C15H8ClN5S/c16-9 -4-2-1-3-7(9)11-8(5-17)14 (20)21-15-12(11)13(19)10( 6-18)22-15/h1-4H,19H2,(H2 ,20,21); ZYCDWPCMXHYGRS-UHFFFAOYSA-N |
Clc3ccccc3c1c(C#N)c(nc2sc(C#N)c(c12)N)N; c1ccc(c(c1)c2c(c(nc3c2c(c(s3)C#N)N)N)C# N)Cl; Nc1nc2sc(C#N)c(N)c2c(c3ccccc3Cl)c1 C#N |
3,6-Diamino-4-(2-chlorophenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile |
| 39362 | UGK CHEMBL5314413 |
2 | C23 H21 F N6 O3 | InChI=1S/C23H21FN6O3/c1-1 2-15(11-28(2)27-12)13-6-1 4-17(7-19(13)32-4)26-9-18 -21(14)30(23(31)29(18)3)2 2-16(24)8-25-10-20(22)33- 5/h6-11H,1-5H3; WNEFOSMCGCLLJU-UHFFFAOYSA-N |
COc1cncc(F)c1N2C(=O)N(C)c3cnc4cc(OC)c(cc 4c23)c5cn(C)nc5C; Cc1c(cn(n1)C)c2cc3c(cc 2OC)ncc4c3N(C(=O)N4C)c5c(cncc5F)OC |
8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoranyl-5-methoxy-pyridin-4-yl)-7-methoxy-3-methyl-imidazo[4,5-c]quinolin-2-one |
| 39363 | UGL | 2 | C9 H13 N3 O3 | InChI=1S/C9H13N3O3/c1-6(2 -3-8(13)14)11-9(15)7-4-5- 10-12-7/h4-6H,2-3H2,1H3,( H,10,12)(H,11,15)(H,13,14 )/t6-/m1/s1; RSKBJUVHKFRVMZ-ZCFIWIBFSA-N |
CC(CCC(=O)O)NC(=O)c1cc[nH]n1; C[CH](CCC( O)=O)NC(=O)c1cc[nH]n1; C[C@H](CCC(O)=O)N C(=O)c1cc[nH]n1; C[C@H](CCC(=O)O)NC(=O)c 1cc[nH]n1 |
(4~{R})-4-(1~{H}-pyrazol-3-ylcarbonylamino)pentanoic acid |
| 39364 | UGM | 1 | C13 H10 N4 O | InChI=1S/C13H10N4O/c14-6- 11-4-10(7-16-8-11)5-13(18 )17-12-2-1-3-15-9-12/h1-4 ,7-9H,5H2,(H,17,18); DQOFNGNCBXHENB-UHFFFAOYSA-N |
O=C(Cc1cncc(c1)C#N)Nc2cccnc2; N#Cc1cncc( c1)CC(=O)Nc2cccnc2; c1cc(cnc1)NC(=O)Cc2c c(cnc2)C#N |
2-(5-cyanopyridin-3-yl)-N-(pyridin-3-yl)acetamide |
| 39365 | UGN | 1 | C15 H24 N2 O2 S | InChI=1S/C15H24N2O2S/c1-1 3(2)12-16-8-10-17(11-9-16 )20(18,19)15-6-4-14(3)5-7 -15/h4-7,13H,8-12H2,1-3H3; VDISKSVXKJQHCZ-UHFFFAOYSA-N |
Cc1ccc(cc1)S(=O)(=O)N2CCN(CC2)CC(C)C; CC (C)CN1CCN(CC1)[S](=O)(=O)c2ccc(C)cc2 |
1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine |
| 39366 | UGO | 2 | C22 H32 N5 O6 | InChI=1S/C22H32N5O6/c28-1 4-18-20(30)21(31)19(29)13 -26(18)11-4-2-1-3-8-23-16 -7-6-15(12-17(16)27(32)33 )22-24-9-5-10-25-22/h5-7, 9-10,12,18-21,23,28-32H,1 -4,8,11,13-14H2/t18-,19+, 20-,21-/m1/s1; WPRQGBYRQQLONQ-PLACYPQZSA-N |
c1cnc(nc1)c2ccc(c(c2)[N+](=O)[OH-])NCCCC CCN3C[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O; OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1C CCCCCNc2ccc(cc2[N+]([OH-])=O)c3ncccn3; O C[CH]1[CH](O)[CH](O)[CH](O)CN1CCCCCCNc2c cc(cc2[N+]([OH-])=O)c3ncccn3; O=N(=O)c1c c(ccc1NCCCCCCN1CC(O)C(O)C(O)C1CO)c1ncccn 1; c1cnc(nc1)c2ccc(c(c2)[N+](=O)[OH-])NC CCCCCN3CC(C(C(C3CO)O)O)O |
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{6-[2-nitro-4-(pyrimidin-2-yl)anilino]hexyl}piperidine-3,4,5-triol |
| 39367 | UGP | 1 | C15 H13 N3 O | InChI=1S/C15H13N3O/c1-11- 5-6-17-10-14(11)18-15(19) 8-12-3-2-4-13(7-12)9-16/h 2-7,10H,8H2,1H3,(H,18,19); OTFRLGRHXMKEAF-UHFFFAOYSA-N |
Cc1ccncc1NC(=O)Cc2cccc(c2)C#N; N(C(Cc1cc cc(C#N)c1)=O)c2cnccc2C |
2-(3-cyanophenyl)-N-(4-methylpyridin-3-yl)acetamide |
| 39368 | UGQ CHEMBL1327868 ZINC000000029422 |
1 | C16 H17 N O2 S | InChI=1S/C16H17NO2S/c1-13 -6-8-16(9-7-13)20(18,19)1 7-11-10-14-4-2-3-5-15(14) 12-17/h2-9H,10-12H2,1H3; ABXZGZXVLBYJDK-UHFFFAOYSA-N |
Cc1ccc(cc1)[S](=O)(=O)N2CCc3ccccc3C2; Cc 1ccc(cc1)S(=O)(=O)N2CCc3ccccc3C2 |
2-(4-methylphenyl)sulfonyl-3,4-dihydro-1~{H}-isoquinoline |
| 39369 | UGR | 2 | C26 H26 N6 O5 S | InChI=1S/C26H26N6O5S/c27- 17(26(35)36)7-8-38-12-19- 21(33)22(34)25(37-19)32-1 1-16(20-23(28)30-13-31-24 (20)32)6-5-14-9-15-3-1-2- 4-18(15)29-10-14/h1-4,9-1 1,13,17,19,21-22,25,33-34 H,7-8,12,27H2,(H,35,36)(H 2,28,30,31)/t17-,19+,21+, 22+,25+/m0/s1; SPMFBZXXQBXKFX-LUOSIZPJSA-N |
c1ccc2c(c1)cc(cn2)C#Cc3cn(c4c3c(ncn4)N)[ C@H]5[C@@H]([C@@H]([C@H](O5)CSCC[C@@H](C (=O)O)N)O)O; N[CH](CCSC[CH]1O[CH]([CH](O )[CH]1O)n2cc(C#Cc3cnc4ccccc4c3)c5c(N)ncn c25)C(O)=O; N[C@@H](CCSC[C@H]1O[C@H]([C@ H](O)[C@@H]1O)n2cc(C#Cc3cnc4ccccc4c3)c5c (N)ncnc25)C(O)=O; c1ccc2c(c1)cc(cn2)C#Cc 3cn(c4c3c(ncn4)N)C5C(C(C(O5)CSCCC(C(=O)O )N)O)O |
(2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-quinolin-3-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid |
| 39370 | UGS CHEMBL4744511 |
1 | C18 H16 N2 O2 | InChI=1S/C18H16N2O2/c1-22 -16-8-9-19-17(12-16)20-18 (21)11-13-6-7-14-4-2-3-5- 15(14)10-13/h2-10,12H,11H 2,1H3,(H,19,20,21); LGUXBXKDCLNCEH-UHFFFAOYSA-N |
N(C(=O)Cc2cc1c(cccc1)cc2)c3cc(ccn3)OC; C Oc1ccnc(c1)NC(=O)Cc2ccc3ccccc3c2; COc1cc nc(NC(=O)Cc2ccc3ccccc3c2)c1 |
N-(4-methoxypyridin-2-yl)-2-(naphthalen-2-yl)acetamide |
| 39371 | UGT ZINC000223071420 |
1 | C16 H19 N3 O S | InChI=1S/C16H19N3OS/c17-1 6(15-5-2-8-21-15)19-13-4- 1-3-12(9-13)11-20-14-6-7- 18-10-14/h1-5,8-9,14,18H, 6-7,10-11H2,(H2,17,19)/t1 4-/m1/s1; OOJUYDKIKUNGMC-CQSZACIVSA-N |
NC(=Nc1cccc(CO[C@@H]2CCNC2)c1)c3sccc3; c 1cc(cc(c1)/N=C(\c2cccs2)/N)CO[C@@H]3CCNC 3; c1cc(cc(c1)N=C(c2cccs2)N)COC3CCNC3; N C(=Nc1cccc(CO[CH]2CCNC2)c1)c3sccc3 |
N-[3-[[(3R)-pyrrolidin-3-yl]oxymethyl]phenyl]thiophene-2-carboximidamide |
| 39372 | UGU CHEMBL815 DB12789 ZINC000003830709 |
2 | C20 H34 O5 | InChI=1S/C20H34O5/c1-2-3- 6-9-15(21)12-13-17-16(18( 22)14-19(17)23)10-7-4-5-8 -11-20(24)25/h4,7,12-13,1 5-19,21-23H,2-3,5-6,8-11, 14H2,1H3,(H,24,25)/b7-4-, 13-12+/t15-,16+,17+,18-,1 9+/m0/s1; PXGPLTODNUVGFL-YNNPMVKQSA-N |
CCCCCC(C=CC1C(CC(C1CC=CCCCC(=O)O)O)O)O; CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O )[C@@H]1C\C=C/CCCC(O)=O; CCCCC[CH](O)C=C [CH]1[CH](O)C[CH](O)[CH]1CC=CCCCC(O)=O; CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C @@H]1C/C=C\CCCC(=O)O)O)O)O |
(Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid; Dinoprost; Prostaglandin F2a; PGF2alpha |
| 39373 | UGV | 1 | C11 H9 Cl N2 O S | InChI=1S/C11H9ClN2OS/c12- 10-4-3-9(16-10)6-11(15)14 -8-2-1-5-13-7-8/h1-5,7H,6 H2,(H,14,15); VLAXFSPPTLAYDD-UHFFFAOYSA-N |
c1cc(cnc1)NC(=O)Cc2ccc(s2)Cl; Clc1sc(CC( =O)Nc2cccnc2)cc1; n2cccc(NC(Cc1ccc(s1)Cl )=O)c2 |
2-(5-chlorothiophen-2-yl)-N-(pyridin-3-yl)acetamide |
| 39374 | UGW CHEMBL29873 ZINC000001081075 |
2 | C14 H22 O | InChI=1S/C14H22O/c1-13(2, 3)10-7-8-12(15)11(9-10)14 (4,5)6/h7-9,15H,1-6H3; ICKWICRCANNIBI-UHFFFAOYSA-N |
CC(C)(C)c1ccc(O)c(c1)C(C)(C)C; CC(C)(C)c 1ccc(c(c1)C(C)(C)C)O |
2,4-di~{tert}-butylphenol |
| 39375 | UGX ZINC000095920975 |
1 | C18 H23 N3 O2 S | InChI=1S/C18H23N3O2S/c1-1 8(2,3)11-20-16(22)7-14-8- 19-17(23)15-6-13(9-21(14) 15)12-4-5-24-10-12/h4-6,9 -10,14H,7-8,11H2,1-3H3,(H ,19,23)(H,20,22)/t14-/m0/ s1; PNMQDIXULZYDDT-AWEZNQCLSA-N |
CC(C)(C)CNC(=O)C[CH]1CNC(=O)c2cc(cn12)c3 cscc3; O=C3c2n(cc(c1ccsc1)c2)C(CC(=O)NCC (C)(C)C)CN3; CC(C)(C)CNC(=O)C[C@H]1CNC(= O)c2cc(cn12)c3cscc3; CC(C)(C)CNC(=O)CC1C NC(=O)c2n1cc(c2)c3ccsc3; CC(C)(C)CNC(=O) C[C@H]1CNC(=O)c2n1cc(c2)c3ccsc3 |
N-(2,2-dimethylpropyl)-2-[1-oxo-7-(thiophen-3-yl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl]acetamide |
| 39376 | UGY | 16 | C3 H7 N3 O3 | InChI=1S/C3H7N3O3/c4-1(2( 7)8)6-3(5)9/h1H,4H2,(H,7, 8)(H3,5,6,9)/t1-/m0/s1; VTFWFHCECSOPSX-SFOWXEAESA-N |
C(C(=O)O)(N)NC(=O)N; [C@H](C(=O)O)(N)NC( =O)N; O=C(N)NC(N)C(=O)O; N[C@@H](NC(N)=O )C(O)=O; N[CH](NC(N)=O)C(O)=O |
(2S)-amino(carbamoylamino)ethanoic acid; (S)-2-ureidoglycine |
| 39377 | UGZ CHEMBL4865534 |
5 | C25 H27 Cl N2 O5 S | InChI=1S/C25H27ClN2O5S/c1 -31-23-14-17(6-7-19(23)16 -27-10-11-28-34(2,29)30)2 0-4-3-5-21(25(20)26)18-8- 9-22-24(15-18)33-13-12-32 -22/h3-9,14-15,27-28H,10- 13,16H2,1-2H3; XIYNVYMSOIQZSL-UHFFFAOYSA-N |
COc1cc(ccc1CNCCNS(=O)(=O)C)c2cccc(c2Cl)c 3ccc4c(c3)OCCO4; COc1cc(ccc1CNCCN[S](C)( =O)=O)c2cccc(c2Cl)c3ccc4OCCOc4c3 |
N-(2-((2'-chloro-3'-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-methoxy-[1,1'-biphenyl]-4-yl)(methyl)amino)ethyl)methanesulfonamide; ~{N}-[2-[[4-[2-chloranyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-2-methoxy-phenyl]methylamino]ethyl]methanesulfonamide |
| 39378 | UH0 | 0 | C26 H31 F N8 O6 | InChI=1S/C26H31FN8O6/c1-1 4-8-21(23(37)25(38)40-14) 33(2)13-22(36)29-11-17-12 -35(26(39)41-17)16-5-6-18 (19(27)9-16)15-4-7-20(28- 10-15)24-30-32-34(3)31-24 /h4-7,9-10,14,17,21,23,25 ,37-38H,8,11-13H2,1-3H3,( H,29,36)/t14-,17+,21+,23- ,25-/m1/s1; REKLJVWYYWKOBN-FIWUYBIJSA-N |
C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O)O)N(C) CC(=O)NC[C@H]2CN(C(=O)O2)c3ccc(c(c3)F)c4 ccc(nc4)c5nnn(n5)C; OC1C(CC(C)OC1O)N(C)C C(=O)NCC1CN(c2ccc(c3ccc(nc3)c3nn(C)nn3)c (F)c2)C(=O)O1; CC1CC(C(C(O1)O)O)N(C)CC(= O)NCC2CN(C(=O)O2)c3ccc(c(c3)F)c4ccc(nc4) c5nnn(n5)C; C[C@@H]1C[C@@H]([C@@H](O)[C@ H](O)O1)N(C)CC(=O)NC[C@H]2CN(C(=O)O2)c3c cc(c(F)c3)c4ccc(nc4)c5nnn(C)n5; C[CH]1C[ CH]([CH](O)[CH](O)O1)N(C)CC(=O)NC[CH]2CN (C(=O)O2)c3ccc(c(F)c3)c4ccc(nc4)c5nnn(C) n5 |
~{N}-[[(5~{S})-3-[3-fluoranyl-4-[6-(2-methyl-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]phenyl]-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]-2-[methyl-[(2~{R},3~{R},4~{S},6~{R})-6-methyl-2,3-bis(oxidanyl)oxan-4-yl]amino]ethanamide |
| 39379 | UH1 | 1 | C14 H11 N3 O | InChI=1S/C14H11N3O/c15-9- 12-4-1-3-11(7-12)8-14(18) 17-13-5-2-6-16-10-13/h1-7 ,10H,8H2,(H,17,18); DSTLUTUEFNLBST-UHFFFAOYSA-N |
c1cc(cc(c1)C#N)CC(=O)Nc2cccnc2; O=C(Cc1c ccc(c1)C#N)Nc2cccnc2; N(C(Cc1cc(ccc1)C#N )=O)c2cccnc2 |
2-(3-cyanophenyl)-N-(pyridin-3-yl)acetamide |
| 39380 | UH2 | 2 | C24 H25 N7 O5 S | InChI=1S/C24H25N7O5S/c25- 13(24(34)35)7-8-37-10-16- 19(32)20(33)23(36-16)31-9 -12(18-21(26)27-11-28-22( 18)31)5-6-17-29-14-3-1-2- 4-15(14)30-17/h1-4,9,11,1 3,16,19-20,23,32-33H,7-8, 10,25H2,(H,29,30)(H,34,35 )(H2,26,27,28)/t13-,16+,1 9+,20+,23+/m0/s1; PYEFDSOFRINBSR-IMYLTZEYSA-N |
N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cc( C#Cc3[nH]c4ccccc4n3)c5c(N)ncnc25)C(O)=O; c1ccc2c(c1)[nH]c(n2)C#Cc3cn(c4c3c(ncn4) N)[C@H]5[C@@H]([C@@H]([C@H](O5)CSCC[C@@H ](C(=O)O)N)O)O; c1ccc2c(c1)[nH]c(n2)C#Cc 3cn(c4c3c(ncn4)N)C5C(C(C(O5)CSCCC(C(=O)O )N)O)O; N[C@@H](CCSC[C@H]1O[C@H]([C@H](O )[C@@H]1O)n2cc(C#Cc3[nH]c4ccccc4n3)c5c(N )ncnc25)C(O)=O |
(2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-[2-(1~{H}-benzimidazol-2-yl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid |
| 39381 | UH3 | 1 | C14 H12 N4 O2 | InChI=1S/C14H12N4O2/c1-7- 12(17-6-16-7)5-10-9-4-8(1 3(15)19)2-3-11(9)18-14(10 )20/h2-6H,1H3,(H2,15,19)( H,16,17)(H,18,20); NQRCNELXESTXEP-UHFFFAOYSA-N |
Cc1nc[nH]c1\C=C2/C(=O)Nc3ccc(cc23)C(N)=O ; Cc1nc[nH]c1C=C2C(=O)Nc3ccc(cc23)C(N)=O ; Cc1c([nH]cn1)/C=C\2/c3cc(ccc3NC2=O)C(= O)N; Cc1c([nH]cn1)C=C2c3cc(ccc3NC2=O)C(= O)N |
(3~{Z})-3-[(4-methyl-1~{H}-imidazol-5-yl)methylidene]-2-oxidanylidene-1~{H}-indole-5-carboxamide |
| 39382 | UH4 | 1 | C11 H11 N3 O S | InChI=1S/C11H11N3OS/c1-8- 4-5-10(16-8)14-11(15)13-9 -3-2-6-12-7-9/h2-7H,1H3,( H2,13,14,15); OCXJDZBTSLHCNX-UHFFFAOYSA-N |
Cc1ccc(s1)NC(=O)Nc2cccnc2; N(C(Nc1ccc(s1 )C)=O)c2cccnc2; Cc1sc(NC(=O)Nc2cccnc2)cc 1 |
N-(5-methylthiophen-2-yl)-N'-pyridin-3-ylurea |
| 39383 | UH5 | 1 | C17 H24 N4 O5 | InChI=1S/C17H24N4O5/c18-7 -4-8-25-17-14(16(24)15(23 )13(10-22)26-17)21-9-12(1 9-20-21)11-5-2-1-3-6-11/h 1-3,5-6,9,13-17,22-24H,4, 7-8,10,18H2/t13-,14+,15-, 16-,17+/m1/s1; XCUIOLRELJNONY-JJTUDDRGSA-N |
c1ccc(cc1)c2cn(nn2)C3C(C(C(OC3OCCCN)CO)O )O; c1ccc(cc1)c2cn(nn2)[C@H]3[C@H]([C@@H ]([C@H](O[C@@H]3OCCCN)CO)O)O; NCCCO[CH]1 O[CH](CO)[CH](O)[CH](O)[CH]1n2cc(nn2)c3c cccc3; NCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@ H](O)[C@@H]1n2cc(nn2)c3ccccc3 |
3-Aminopropyl 2-deoxy-2-(4-phenyl-1,2,3-triazol-1-yl)-alpha-D-mannopyranoside; (2~{R},3~{S},4~{R},5~{S},6~{S})-6-(3-azanylpropoxy)-2-(hydroxymethyl)-5-(4-phenyl-1,2,3-triazol-1-yl)oxane-3,4-diol |
| 39384 | UH6 | 0 | C58 H90 F N9 O15 S | InChI=1S/C58H90FN9O15S/c1 -15-44-58(10,76)49(71)35( 6)66(12)28-31(2)24-56(8,7 5)51(33(4)48(34(5)53(73)8 1-44)82-46-25-57(9,77-14) 50(72)36(7)79-46)83-54-47 (70)43(22-32(3)78-54)65(1 1)20-21-84-30-45(69)61-27 -39-29-68(55(74)80-39)38- 17-18-40(41(59)23-38)37-1 6-19-42(60-26-37)52-62-64 -67(13)63-52/h16-19,23,26 ,31-36,39,43-44,46-51,54, 70-72,75-76H,15,20-22,24- 25,27-30H2,1-14H3,(H,61,6 9)/t31-,32-,33+,34-,35-,3 6+,39+,43+,44-,46+,47-,48 +,49-,50+,51-,54+,56-,57- ,58-/m1/s1; QIHLNARXTPPOEY-KOXYHZPISA-N |
CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[ C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C )O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC )C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C CSCC(=O)NC[C@H]4CN(C(=O)O4)c5ccc(c(c5)F) c6ccc(nc6)c7nnn(n7)C)O)(C)O)C)C)C)O)(C)O ; CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[ C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[ C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N (C)CCSCC(=O)NC[C@H]4CN(C(=O)O4)c5ccc(c(F )c5)c6ccc(nc6)c7nnn(C)n7)[C@](C)(O)C[C@@ H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O; CC [CH]1OC(=O)[CH](C)[CH](O[CH]2C[C](C)(OC) [CH](O)[CH](C)O2)[CH](C)[CH](O[CH]3O[CH] (C)C[CH]([CH]3O)N(C)CCSCC(=O)NC[CH]4CN(C (=O)O4)c5ccc(c(F)c5)c6ccc(nc6)c7nnn(C)n7 )[C](C)(O)C[CH](C)CN(C)[CH](C)[CH](O)[C] 1(C)O; Cn1nc(nn1)c1ccc(cn1)c1ccc(cc1F)N1 CC(OC1=O)CNC(=O)CSCCN(C)C1CC(C)OC(OC2C(C )C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC )C(C)(O)C(O)C(C)N(C)CC(C)CC2(C)O)C1O; CC C1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC( C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)CC SCC(=O)NCC4CN(C(=O)O4)c5ccc(c(c5)F)c6ccc (nc6)c7nnn(n7)C)O)(C)O)C)C)C)O)(C)O |
(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-({3,4,6-trideoxy-3-[(2-{[2-({[(5S)-3-{(4M)-3-fluoro-4-[(6P)-6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl]phenyl}-2-oxo-1,3-oxazolidin-5-yl]methyl}amino)-2-oxoethyl]sulfanyl}ethyl)(methyl)amino]-beta-D-xylo-hexopyranosyl}oxy)-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside |
| 39385 | UH7 CHEMBL4785977 |
1 | C14 H13 Cl N2 O | InChI=1S/C14H13ClN2O/c1-1 0-5-6-16-9-13(10)17-14(18 )8-11-3-2-4-12(15)7-11/h2 -7,9H,8H2,1H3,(H,17,18); ZROFBWFSOGSOQG-UHFFFAOYSA-N |
Cc1ccncc1NC(=O)Cc2cccc(c2)Cl; Cc1ccncc1N C(=O)Cc2cccc(Cl)c2; N(C(Cc1cccc(c1)Cl)=O )c2cnccc2C |
2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)acetamide |
| 39386 | UH8 | 1 | C14 H18 N4 O5 | InChI=1S/C14H18N4O5/c1-22 -14-11(13(21)12(20)10(7-1 9)23-14)18-6-9(16-17-18)8 -3-2-4-15-5-8/h2-6,10-14, 19-21H,7H2,1H3/t10-,11+,1 2-,13-,14+/m1/s1; GWSVVXWGZNVVOP-ITGHMWBKSA-N |
CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H ]1n2cc(nn2)c3cccnc3; COC1C(C(C(C(O1)CO)O )O)n2cc(nn2)c3cccnc3; CO[C@@H]1[C@H]([C@ H]([C@@H]([C@H](O1)CO)O)O)n2cc(nn2)c3ccc nc3; CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1 n2cc(nn2)c3cccnc3 |
Methyl 2-deoxy-2-(4-(pyridine-3-yl))-1,2,3-triazol-1-yl)-alpha-D-mannopyranoside; (2~{R},3~{S},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-methoxy-5-(4-pyridin-3-yl-1,2,3-triazol-1-yl)oxane-3,4-diol |
| 39387 | UH9 | 1 | C16 H15 F3 N O5 P | InChI=1S/C16H15F3NO5P/c17 -12-5-3-4-11(8-12)16(18,1 9)10-20-15(21)9-25-13-6-1 -2-7-14(13)26(22,23)24/h1 -8H,9-10H2,(H,20,21)(H2,2 2,23,24); CWLSIOCFRIMBMV-UHFFFAOYSA-N |
c1ccc(c(c1)OCC(=O)NCC(c2cccc(c2)F)(F)F)P (=O)(O)O; O[P](O)(=O)c1ccccc1OCC(=O)NCC( F)(F)c2cccc(F)c2 |
[2-[2-[[2,2-bis(fluoranyl)-2-(3-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid |
| 39388 | UHA | 1 | C15 H15 Cl N2 O | InChI=1S/C15H15ClN2O/c1-1 0-6-7-17-9-14(10)18-15(19 )11(2)12-4-3-5-13(16)8-12 /h3-9,11H,1-2H3,(H,18,19) /t11-/m1/s1; WNGGAWMEODUSED-LLVKDONJSA-N |
C[CH](C(=O)Nc1cnccc1C)c2cccc(Cl)c2; n1cc c(C)c(c1)NC(C(c2cccc(Cl)c2)C)=O; Cc1ccnc c1NC(=O)[C@H](C)c2cccc(c2)Cl; Cc1ccncc1N C(=O)C(C)c2cccc(c2)Cl; C[C@@H](C(=O)Nc1c nccc1C)c2cccc(Cl)c2 |
(2R)-2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)propanamide |
| 39389 | UHB | 25 | C24 H27 N9 O6 | InChI=1S/C24H25N9O6/c25-2 0-16-21(28-10-27-20)33(11 -29-16)24-18(36)17(35)19( 39-24)23(38)32-6-4-31(5-7 -32)9-15(34)30-14-3-1-2-1 2-13(14)8-26-22(12)37/h1- 3,8,10-11,17-19,24,35-36H ,4-7,9H2,(H,26,37)(H2,25, 27,28)/b30-14-/t17-,18+,1 9-,24+/m0/s1; QEUOCRGVJJDDTK-VBFAUCSFSA-N |
c1cc2c(c(c1)NC(=O)CN3CCN(CC3)C(=O)[C@@H] 4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O) O)CNC2=O; Nc1ncnc2n(cnc12)[CH]3O[CH]([CH ](O)[CH]3O)C(=O)N4CCN(CC4)CC(=O)Nc5cccc6 C(=O)NCc56; Nc1ncnc2n(cnc12)[C@@H]3O[C@@ H]([C@@H](O)[C@H]3O)C(=O)N4CCN(CC4)CC(=O )Nc5cccc6C(=O)NCc56; c1cc2c(c(c1)NC(=O)C N3CCN(CC3)C(=O)C4C(C(C(O4)n5cnc6c5ncnc6N )O)O)CNC2=O; O=C6C5=CC=C/C(=N/C(=O)CN4CC N(C(=O)C3OC(n2cnc1c(ncnc12)N)C(O)C3O)CC4 )C5=CN6 |
2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide |
| 39390 | UHC | 3 | C19 H35 N2 O9 P S | InChI=1S/C19H35N2O9PS/c1- 4-5-6-7-14(22)12-16(24)32 -11-10-20-15(23)8-9-21-18 (26)17(25)19(2,3)13-30-31 (27,28)29/h17,25H,4-13H2, 1-3H3,(H,20,23)(H,21,26)( H2,27,28,29)/t17-/m1/s1; HGKMRNVHDOTSFB-QGZVFWFLSA-N |
CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](C (C)(C)COP(=O)(O)O)O; CCCCCC(=O)CC(=O)SCC NC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O; CC CCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C( C)(C)CO[P](O)(O)=O; CCCCCC(=O)CC(=O)SCCN C(=O)CCNC(=O)[C@@H](O)C(C)(C)CO[P](O)(O) =O |
~{S}-[2-[3-[[(2~{S})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] 3-oxidanylideneoctanethioate |
| 39391 | UHD DB04799 ZINC000014881301 |
1 | C18 H25 N O3 S | InChI=1S/C18H25NO3S/c1-2- 3-4-5-6-7-8-9-10-11-13-15 (20)14-18(23-12-19-14)17( 22)16(13)21/h12,21H,2-11H 2,1H3; QCWGBMWYLYKEIU-UHFFFAOYSA-N |
O=C2c1scnc1C(=O)C(=C2O)CCCCCCCCCCC; CCCC CCCCCCCC1=C(O)C(=O)c2scnc2C1=O; CCCCCCCC CCCC1=C(C(=O)c2c(ncs2)C1=O)O |
6-HYDROXY-5-UNDECYL-1,3-BENZOTHIAZOLE-4,7-DIONE; 3-UNDECYL-2-HYDROXYDIOXOBENZOTHIAZOL; UHDBT |
| 39392 | UHE | 1 | C13 H19 N O2 S | InChI=1S/C13H19NO2S/c1-9( 2)8-12(17)13(15)14-10-4-6 -11(16-3)7-5-10/h4-7,9,12 ,17H,8H2,1-3H3,(H,14,15)/ t12-/m0/s1; HDLRYABNVVOQJO-LBPRGKRZSA-N |
CC(C)CC(C(=O)Nc1ccc(cc1)OC)S; CC(C)C[C@@ H](C(=O)Nc1ccc(cc1)OC)S; COc1ccc(NC(=O)[ CH](S)CC(C)C)cc1; COc1ccc(NC(=O)[C@@H](S )CC(C)C)cc1 |
(S)-2-mercapto-N-(4-methoxyphenyl)-4-methylpentanamide; (2~{S})-~{N}-(4-methoxyphenyl)-4-methyl-2-sulfanyl-pentanamide |
| 39393 | UHF ZINC000034886883 |
1 | C19 H30 N4 O4 | InChI=1S/C19H30N4O4/c1-5- 6-7-15(11-23(27)12-24)18( 25)17(13(2)3)22-19(26)21- 16-9-8-14(4)10-20-16/h8-1 0,12-13,15,17,27H,5-7,11H 2,1-4H3,(H2,20,21,22,26)/ t15-,17+/m1/s1; AMPUUHFRILVRDV-WBVHZDCISA-N |
CCCCC(CN(C=O)O)C(=O)C(C(C)C)NC(=O)Nc1ccc (cn1)C; O=C(Nc1ncc(cc1)C)NC(C(=O)C(CCCC) CN(O)C=O)C(C)C; CCCC[CH](CN(O)C=O)C(=O)[ CH](NC(=O)Nc1ccc(C)cn1)C(C)C; CCCC[C@H]( CN(C=O)O)C(=O)[C@H](C(C)C)NC(=O)Nc1ccc(c n1)C; CCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC( =O)Nc1ccc(C)cn1)C(C)C |
N-((2R,4S)-2-butyl-5-methyl-4-(3-(5-methylpyridin-2-yl)ureido)-3-oxohexyl)-N-hydroxyformamide |
| 39394 | UHG CHEMBL2171250 ZINC000001869694 |
1 | C15 H12 Cl N O2 | InChI=1S/C15H12ClNO2/c1-8 (15(18)19)9-2-4-11-12-7-1 0(16)3-5-13(12)17-14(11)6 -9/h2-8,17H,1H3,(H,18,19) /t8-/m1/s1; PUXBGTOOZJQSKH-MRVPVSSYSA-N |
C[C@@H](C(O)=O)c1ccc2c([nH]c3ccc(Cl)cc23 )c1; C[CH](C(O)=O)c1ccc2c([nH]c3ccc(Cl)c c23)c1; CC(c1ccc2c3cc(ccc3[nH]c2c1)Cl)C( =O)O; C[C@H](c1ccc2c3cc(ccc3[nH]c2c1)Cl) C(=O)O; c3cc2c1cc(Cl)ccc1nc2cc3C(C)C(O)= O |
(2R)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid |
| 39395 | UHH | 1 | C24 H39 N O4 | InChI=1S/C24H39NO4/c1-13( 4-7-21(25)29)16-5-6-17-22 -18(12-20(28)24(16,17)3)2 3(2)9-8-15(26)10-14(23)11 -19(22)27/h8-9,13-20,22,2 6-28H,4-7,10-12H2,1-3H3,( H2,25,29)/t13-,14+,15-,16 -,17+,18+,19-,20+,22+,23+ ,24-/m1/s1; FMNKZHQYXMWDCG-OELDTZBJSA-N |
C[C@H](CCC(=O)N)C1CC[C@@H]2[C@@]1([C@H]( C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(C=C[C@ H](C4)O)C)O)O)C; C[CH](CCC(N)=O)[CH]1CC[ CH]2[CH]3[CH](O)C[CH]4C[CH](O)C=C[C]4(C) [CH]3C[CH](O)[C]12C; CC(CCC(=O)N)C1CCC2C 1(C(CC3C2C(CC4C3(C=CC(C4)O)C)O)O)C; O=C( N)CCC(C3CCC2C1C(O)CC4CC(O)C=CC4(C)C1CC(O )C23C)C; C[C@H](CCC(N)=O)[C@H]1CC[C@H]2[ C@@H]3[C@H](O)C[C@@H]4C[C@H](O)C=C[C@]4( C)[C@H]3C[C@H](O)[C@]12C |
(3ALPHA,5ALPHA,7ALPHA,8ALPHA,12ALPHA,14BETA,17ALPHA)-3,7,12-TRIHYDROXYCHOL-1-EN-24-AMIDE |
| 39396 | UHI CHEMBL4650366 |
1 | C21 H21 N O4 S | InChI=1S/C21H21NO4S/c1-22 -12-19(16-5-3-4-6-17(16)2 1(22)23)18-11-15(27(2,24) 25)9-10-20(18)26-13-14-7- 8-14/h3-6,9-12,14H,7-8,13 H2,1-2H3; UWZAJPITKGWMFJ-UHFFFAOYSA-N |
CS(=O)(=O)c1cc(C2=CN(C)C(=O)c3ccccc23)c( OCC2CC2)cc1; CN1C=C(c2ccccc2C1=O)c3cc(cc c3OCC4CC4)[S](C)(=O)=O; CN1C=C(c2ccccc2C 1=O)c3cc(ccc3OCC4CC4)S(=O)(=O)C |
(4P)-4-[2-(cyclopropylmethoxy)-5-(methanesulfonyl)phenyl]-2-methylisoquinolin-1(2H)-one; Trotabresib |
| 39397 | UHJ CHEMBL4436648 |
2 | C16 H14 N4 O3 S2 | InChI=1S/C16H14N4O3S2/c1- 25(22,23)20-13-4-2-11(3-5 -13)12-6-10(8-18-9-12)7-1 4-15(21)19-16(17)24-14/h2 -9,20H,1H3,(H2,17,19,21)/ b14-7-; AGHDPPGOJJYURV-AUWJEWJLSA-N |
CS(Nc1ccc(cc1)c2cncc(c2)[C@H]=C3C(=O)N/C (S3)=N)(=O)=O; [H]/N=C/1\NC(=O)/C(=C/c2c c(cnc2)c3ccc(cc3)NS(=O)(=O)C)/S1; C[S](= O)(=O)Nc1ccc(cc1)c2cncc(C=C3SC(=N)NC3=O) c2; C[S](=O)(=O)Nc1ccc(cc1)c2cncc(/C=C/3 SC(=N)NC/3=O)c2; CS(=O)(=O)Nc1ccc(cc1)c2 cc(cnc2)C=C3C(=O)NC(=N)S3 |
N-[4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}pyridin-3-yl)phenyl]methanesulfonamide |
| 39398 | UHK | 2 | C13 H19 N O S | InChI=1S/C13H19NOS/c1-9(2 )8-12(16)13(15)14-11-6-4- 10(3)5-7-11/h4-7,9,12,16H ,8H2,1-3H3,(H,14,15)/t12- /m0/s1; BYBVNNWQUAPBOD-LBPRGKRZSA-N |
Cc1ccc(cc1)NC(=O)C(CC(C)C)S; CC(C)C[C@H] (S)C(=O)Nc1ccc(C)cc1; Cc1ccc(cc1)NC(=O)[ C@H](CC(C)C)S; CC(C)C[CH](S)C(=O)Nc1ccc( C)cc1 |
(S)-2-mercapto-4-methyl-N-(p-tolyl)pentanamide; (2~{S})-4-methyl-~{N}-(4-methylphenyl)-2-sulfanyl-pentanamide |
| 39399 | UHL | 6 | C5 H9 N3 O2 | InChI=1S/C5H9N3O2/c1-9-3- 2-4-7-8-5(6)10-4/h2-3H2,1 H3,(H2,6,8); NOHAGGWBLILEEG-UHFFFAOYSA-N |
COCCc1nnc(o1)N; COCCc1oc(N)nn1 | 5-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine |
| 39400 | UHM | 1 | C13 H11 N3 O2 S | InChI=1S/C13H11N3O2S/c14- 5-6-18-12-4-2-1-3-11(12)1 3(17)15-7-10-8-16-19-9-10 /h1-4,8-9H,6-7H2,(H,15,17 ); PZOXHLAZHKNFDQ-UHFFFAOYSA-N |
n2scc(CNC(c1c(OCC#N)cccc1)=O)c2; c1ccc(c (c1)C(=O)NCc2cnsc2)OCC#N; O=C(NCc1csnc1) c2ccccc2OCC#N |
2-(cyanomethoxy)-N-[(1,2-thiazol-4-yl)methyl]benzamide |