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Browse Ligand
| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 43801 | US5 | 0 | C9 H13 N2 O8 P Se | InChI=1S/C9H13N2O8PSe/c12 -6-4(3-18-20(15,16)17)19- 8(7(6)13)11-2-1-5(21)10-9 (11)14/h1-2,4,6-8,12-13H, 3H2,(H,10,14,21)(H2,15,16 ,17)/t4-,6-,7-,8-/m1/s1; ZCQCFKOZDRTETH-XVFCMESISA-N |
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)( O)=O)N2C=CC(=NC2=O)[SeH]; C1=CN(C(=O)N=C 1[SeH])C2C(C(C(O2)COP(=O)(O)O)O)O; O[CH] 1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=CC( =NC2=O)[SeH]; O=P(O)(O)OCC2OC(N1C(=O)N=C ([SeH])C=C1)C(O)C2O; C1=CN(C(=O)N=C1[SeH ])[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O )O)O)O |
1-(5-O-phosphono-beta-D-ribofuranosyl)-4-selanylpyrimidin-2(1H)-one; 4-Se-ribouridine-5'-phosphate |
| 43802 | US6 ZINC000255272846 |
2 | C35 H45 N O10 | InChI=1S/C35H45NO10/c1-14 -10-9-11-15(2)35(46)36-22 -13-23(37)24-25(32(43)21( 8)33(44)26(24)34(22)45)29 (40)17(4)12-16(3)28(39)19 (6)31(42)20(7)30(41)18(5) 27(14)38/h9-14,16,18-20,2 7-28,30-31,38-39,41-44H,1 -8H3,(H,36,46)/b10-9+,15- 11-,17-12+/t14-,16-,18+,1 9+,20+,27-,28-,30+,31+/m0 /s1; VFGOUSMZKMNRLA-CVQHHNHTSA-N |
Cc1c(c2c3c(c1O)C(=O)C(=CC3=O)NC(=O)/C(=C \C=C\[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@ @H]([C@@H]([C@H]([C@H](/C=C(/C2=O)\C)C)O )C)O)C)O)C)O)C)/C)O; C[CH]1C=CC=C(C)C(=O )NC2=CC(=O)c3c(c(O)c(C)c(O)c3C2=O)C(=O)C (=C[CH](C)[CH](O)[CH](C)[CH](O)[CH](C)[C H](O)[CH](C)[CH]1O)C; C[C@H]1/C=C/C=C(C) \C(=O)NC2=CC(=O)c3c(c(O)c(C)c(O)c3C2=O)C (=O)\C(=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H ](O)[C@H](C)[C@H](O)[C@H](C)[C@H]1O)C; C c1c(c2c3c(c1O)C(=O)C(=CC3=O)NC(=O)C(=CC= CC(C(C(C(C(C(C(C(C(C=C(C2=O)C)C)O)C)O)C) O)C)O)C)C)O |
(7E,9S,10S,11R,12R,13R,14R,15R,16S,17S,18E,20Z)-2,4,10,12,14,16-hexahydroxy-3,7,9,11,13,15,17,21-octamethyl-23-azatricyclo[22.3.1.05,27]octacosa-1,3,5(27),7,18,20,24-heptaene-6,22,26,28-tetrone; 34a-Deoxy-rifamycin W |
| 43803 | US7 CHEMBL4543970 ZINC000000154150 |
4 | C11 H16 N2 O2 S | InChI=1S/C11H16N2O2S/c1-1 6(14,15)11-4-2-10(3-5-11) 13-8-6-12-7-9-13/h2-5,12H ,6-9H2,1H3; KNQFDOLIXOOIGX-UHFFFAOYSA-N |
N2CCN(c1ccc(S(=O)(C)=O)cc1)CC2; C[S](=O) (=O)c1ccc(cc1)N2CCNCC2; CS(=O)(=O)c1ccc( cc1)N2CCNCC2 |
1-[4-(methylsulfonyl)phenyl]piperazine |
| 43804 | US8 | 1 | C16 H16 N2 O2 S | InChI=1S/C16H16N2O2S/c1-1 0(19)17-16-13(15(20)18-12 -7-8-12)9-14(21-16)11-5-3 -2-4-6-11/h2-6,9,12H,7-8H 2,1H3,(H,17,19)(H,18,20); XGQYGJKFUOSIIU-UHFFFAOYSA-N |
CC(=O)Nc1c(cc(s1)c2ccccc2)C(=O)NC3CC3; C C(=O)Nc1sc(cc1C(=O)NC2CC2)c3ccccc3 |
2-acetamido-N-cyclopropyl-5-phenyl-thiophene-3-carboxamide; 2-acetamido-~{N}-cyclopropyl-5-phenyl-thiophene-3-carboxamide |
| 43805 | US9 ZINC000058024625 |
8 | C15 H19 F3 N2 O4 S | InChI=1S/C15H19F3N2O4S/c1 -2-25(22,23)20-9-3-4-11(1 0-20)14(21)19-12-5-7-13(8 -6-12)24-15(16,17)18/h5-8 ,11H,2-4,9-10H2,1H3,(H,19 ,21)/t11-/m1/s1; BPAOPEQELJCSLA-LLVKDONJSA-N |
CCS(=O)(=O)N1CCC[C@H](C1)C(=O)Nc2ccc(cc2 )OC(F)(F)F; CC[S](=O)(=O)N1CCC[C@H](C1)C (=O)Nc2ccc(OC(F)(F)F)cc2; CC[S](=O)(=O)N 1CCC[CH](C1)C(=O)Nc2ccc(OC(F)(F)F)cc2; O =S(=O)(CC)N1CCCC(C1)C(=O)Nc1ccc(OC(F)(F) F)cc1; CCS(=O)(=O)N1CCCC(C1)C(=O)Nc2ccc( cc2)OC(F)(F)F |
(3R)-1-(ethanesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide |
| 43806 | USA | 1 | C4 H5 N3 | InChI=1S/C4H5N3/c5-3-4-6- 1-2-7-4/h1-3,5H,(H,6,7)/b 5-3+; CWGOCYXTOJEBFI-HWKANZROSA-N |
n1ccnc1/C=N; [H]/N=C/c1[nH]ccn1; c1cnc([ nH]1)C=N; N=Cc1[nH]ccn1 |
(E)-1-(1H-imidazol-2-yl)methanimine |
| 43807 | USB | 4 | C16 H25 N6 O8 P | InChI=1S/C16H25N6O8P/c1-7 (2)3-8(17)16(25)30-31(26, 27)28-4-9-11(23)12(24)15( 29-9)22-6-21-10-13(18)19- 5-20-14(10)22/h5-9,11-12, 15,23-24H,3-4,17H2,1-2H3, (H,26,27)(H2,18,19,20)/t8 -,9+,11+,12+,15+/m0/s1; AXWPLGAOCISUCB-OPYVMVOTSA-N |
CC(C)CC(C(=O)OP(=O)(O)OCC1C(C(C(O1)n2cnc 3c2ncnc3N)O)O)N; CC(C)C[CH](N)C(=O)O[P]( O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c (N)ncnc23; CC(C)C[C@H](N)C(=O)O[P](O)(=O )OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c (N)ncnc23; CC(C)C[C@@H](C(=O)OP(=O)(O)OC [C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncn c3N)O)O)N |
[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2~{S})-2-azanyl-4-methyl-pentanoate |
| 43808 | USC | 0 | C9 H9 N O6 S | InChI=1S/C9H9NO6S/c1-17(1 5,16)10-7-3-5(8(11)12)2-6 (4-7)9(13)14/h2-4,10H,1H3 ,(H,11,12)(H,13,14); RHRDZYNNRHDSCS-UHFFFAOYSA-N |
CS(=O)(=O)Nc1cc(cc(c1)C(=O)O)C(=O)O; O=S (=O)(Nc1cc(cc(c1)C(=O)O)C(=O)O)C; C[S](= O)(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O |
5-[(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid |
| 43809 | USD | 1 | C5 H5 N3 | InChI=1S/C5H5N3/c6-4-5-7- 2-1-3-8-5/h1-4,6H/b6-4+; KSQIQMUQPXONCB-GQCTYLIASA-N |
c1cnc(nc1)C=N; [H]/N=C/c1ncccn1; n1cccnc 1/C=N; N=Cc1ncccn1 |
(E)-1-(pyrimidin-2-yl)methanimine |
| 43810 | USE CHEMBL520866 ZINC000004098560 |
2 | C21 H20 O11 | InChI=1S/C21H20O11/c22-6- 14-17(28)18(29)19(30)21(3 2-14)16-11(26)4-10(25)15- 12(27)5-13(31-20(15)16)7- 1-2-8(23)9(24)3-7/h1-5,14 ,17-19,21-26,28-30H,6H2/t 14-,17-,18+,19-,21+/m1/s1; PLAPMLGJVGLZOV-VPRICQMDSA-N |
c1cc(c(cc1C2=CC(=O)c3c(cc(c(c3O2)[C@H]4[ C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O )O)O; OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C @@H]1O)c2c(O)cc(O)c3C(=O)C=C(Oc23)c4ccc( O)c(O)c4; c1cc(c(cc1C2=CC(=O)c3c(cc(c(c3 O2)C4C(C(C(C(O4)CO)O)O)O)O)O)O)O; OC[CH] 1O[CH]([CH](O)[CH](O)[CH]1O)c2c(O)cc(O)c 3C(=O)C=C(Oc23)c4ccc(O)c(O)c4 |
Orientin; 2-[3,4-bis(oxidanyl)phenyl]-8-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-5,7-bis(oxidanyl)chromen-4-one; 5281675; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one |
| 43811 | USF CHEMBL5439907 |
1 | C27 H29 F N8 O2 | InChI=1S/C27H29FN8O2/c1-1 4(2)35-6-4-17-10-22(34-36 (17)13-23(35)37)33-21-9-1 6-8-18(24(28)25(29)20(16) 12-31-21)19-11-32-27-26(1 5(19)3)30-5-7-38-27/h8-12 ,14,30H,4-7,13,29H2,1-3H3 ,(H,31,33,34); JOMBGXFENCGRHG-UHFFFAOYSA-N |
Cc1c(cnc2c1NCCO2)c3cc4cc(ncc4c(c3F)N)Nc5 cc6n(n5)CC(=O)N(CC6)C(C)C; CC(C)N1CCc2cc (Nc3cc4cc(c(F)c(N)c4cn3)c5cnc6OCCNc6c5C) nn2CC1=O |
2-[[8-azanyl-7-fluoranyl-6-(8-methyl-2,3-dihydro-1~{H}-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4~{H}-pyrazolo[1,5-d][1,4]diazepin-7-one; 2-[8-Amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-isoquinolin-3-ylamino]-6-isopropyl-5,6-dihydro-4H-1,6,8a-triaza-azulen-7-one |
| 43812 | USG | 1 | C22 H25 F2 N O2 | InChI=1S/C22H25F2NO2/c23- 19-7-3-17(4-8-19)16-22(27 )11-14-25(15-12-22)13-1-2 -21(26)18-5-9-20(24)10-6- 18/h3-10,27H,1-2,11-16H2; IYFJRQNDVZAPSQ-UHFFFAOYSA-N |
OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)Cc3ccc(F )cc3; C2CN(CCCC(c1ccc(cc1)F)=O)CCC2(Cc3c cc(cc3)F)O; c1cc(ccc1CC2(CCN(CC2)CCCC(=O )c3ccc(cc3)F)O)F |
4-(4-benzyl-4-hydroxypiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one |
| 43813 | USH ZINC000020268507 |
1 | C14 H19 Cl N2 O3 | InChI=1S/C14H19ClN2O3/c1- 3-8-17(14(19)9-15)10-13(1 8)16-11-6-4-5-7-12(11)20- 2/h4-7H,3,8-10H2,1-2H3,(H ,16,18); NXCZZJXJRNCFHV-UHFFFAOYSA-N |
CCCN(CC(=O)Nc1ccccc1OC)C(=O)CCl | 2-[2-chloranylethanoyl(propyl)amino]-~{N}-(2-methoxyphenyl)ethanamide |
| 43814 | USI CHEMBL5569351 |
2 | C20 H19 N5 O | InChI=1S/C20H19N5O/c1-26- 16-4-2-3-14(10-16)18-11-1 9(25-20(21)24-18)23-12-13 -5-6-17-15(9-13)7-8-22-17 /h2-11,22H,12H2,1H3,(H3,2 1,23,24,25); DOZCEYNDPGHGAV-UHFFFAOYSA-N |
COc1cccc(c1)c2cc(nc(n2)N)NCc3ccc4c(c3)cc [nH]4; COc1cccc(c1)c2cc(NCc3ccc4[nH]ccc4 c3)nc(N)n2 |
~{N}4-(1~{H}-indol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine |
| 43815 | USJ | 1 | C9 H11 N O2 | InChI=1S/C9H11NO2/c1-10-8 (11)6-4-2-3-5-7(6)9(10)12 /h2-5,8-9,11-12H,1H3/t8-, 9-/m0/s1; BYRKHPSEAHMOOE-IUCAKERBSA-N |
CN1[C@H](c2ccccc2[C@@H]1O)O; c1cc2c(cc1) C(N(C2O)C)O; CN1C(c2ccccc2C1O)O; CN1[CH] (O)c2ccccc2[CH]1O; CN1[C@@H](O)c2ccccc2[ C@@H]1O |
(1S,3S)-2-methyl-2,3-dihydro-1H-isoindole-1,3-diol |
| 43816 | USK | 4 | C23 H23 N5 O5 S2 | InChI=1S/C23H23N5O5S2/c29 -20-8-6-16(7-9-20)12-18(1 3-22(30)26-31)28-19(14-24 -27-28)15-25-35(32,33)23- 11-10-21(34-23)17-4-2-1-3 -5-17/h1-11,14,18,25,29,3 1H,12-13,15H2,(H,26,30)/t 18-/m0/s1; YNJVRCJGXCXRMB-SFHVURJKSA-N |
c1ccc(cc1)c2ccc(s2)S(=O)(=O)NCc3cnnn3[C@ @H](Cc4ccc(cc4)O)CC(=O)NO; c1ccc(cc1)c2c cc(s2)S(=O)(=O)NCc3cnnn3C(Cc4ccc(cc4)O)C C(=O)NO; ONC(=O)C[CH](Cc1ccc(O)cc1)n2nnc c2CN[S](=O)(=O)c3sc(cc3)c4ccccc4; ONC(=O )C[C@H](Cc1ccc(O)cc1)n2nncc2CN[S](=O)(=O )c3sc(cc3)c4ccccc4 |
(3~{S})-4-(4-hydroxyphenyl)-~{N}-oxidanyl-3-[5-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]butanamide |
| 43817 | USL | 2 | C23 H24 F N3 O9 | InChI=1S/C23H24FN3O9/c24- 13-7-11-14(27(10-1-2-10)9 -12(16(11)28)22(32)33)8-1 5(13)25-3-5-26(6-4-25)21- 19(31)17(29)18(30)20(36-2 1)23(34)35/h3,5,7-10,17-2 1,29-31H,1-2,4,6H2,(H,32, 33)(H,34,35)/t17-,18-,19+ ,20-,21+/m0/s1; CWGBMWFHBQHVMG-JRSUCEMESA-N |
O=C(O)C1=CN(C2CC2)c2cc(c(F)cc2C1=O)N1CCN (C=C1)C1OC(C(O)C(O)C1O)C(=O)O; O[CH]1[CH ](O)[CH](O[CH]([CH]1O)C(O)=O)N2CCN(C=C2) c3cc4N(C=C(C(O)=O)C(=O)c4cc3F)C5CC5; O[C @@H]1[C@@H](O)[C@@H](O[C@@H]([C@H]1O)C(O )=O)N2CCN(C=C2)c3cc4N(C=C(C(O)=O)C(=O)c4 cc3F)C5CC5; c1c2c(cc(c1F)N3CCN(C=C3)[C@H ]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O) O)O)N(C=C(C2=O)C(=O)O)C5CC5; c1c2c(cc(c1 F)N3CCN(C=C3)C4C(C(C(C(O4)C(=O)O)O)O)O)N (C=C(C2=O)C(=O)O)C5CC5 |
3-carboxy-1-cyclopropyl-6-fluoro-7-(4-beta-D-glucopyranuronosyl-3,4-dihydropyrazin-1(2H)-yl)-4-oxo-1,4-dihydroquinoline |
| 43818 | USM ZINC000058649708 |
0 | C10 H15 N2 O8 P S | InChI=1S/C10H15N2O8PS/c1- 22-8-7(14)5(4-19-21(16,17 )18)20-9(8)12-3-2-6(13)11 -10(12)15/h2-3,5,7-9,14H, 4H2,1H3,(H,11,13,15)(H2,1 6,17,18)/t5-,7-,8-,9-/m1/ s1; NZYFPIYZUCYZKH-ZOQUXTDFSA-N |
CSC1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)O)O ; CS[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH] 1N2C=CC(=O)NC2=O; CS[C@@H]1[C@@H]([C@H]( O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O; CS [C@@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@ H]1N2C=CC(=O)NC2=O; O=C1NC(=O)N(C=C1)C2O C(C(O)C2SC)COP(=O)(O)O |
2'-S-methyl-2'-thiouridine 5'-(dihydrogen phosphate) |
| 43819 | USN | 16 | C44 H55 N6 Ni O13 | InChI=1S/C44H56N6O13.Ni/c 1-19-15-42(3)24(12-36(61) 62)26-14-29-41(2,17-30(45 )51)22(6-9-33(55)56)28(46 -29)16-44-43(4,18-31(52)5 0-44)23(7-10-34(57)58)27( 49-44)13-25-21(11-35(59)6 0)20(5-8-32(53)54)38(47-2 5)37(39(19)63)40(42)48-26 ;/h13,19-24,26,28H,5-12,1 4-18H2,1-4H3,(H9,45,47,48 ,49,50,51,52,53,54,55,56, 57,58,59,60,61,62,63);/q; +1/p-1/t19-,20?,21?,22?,2 3?,24?,26?,28?,41-,42-,43 -,44-;/m0./s1; RAZHPFHMRANHAI-KFKQAULWSA-M |
C[C@H]1C[C@]2(C(C3CC4=[N]5C(CC67[C@@](CC (=O)N6)(C(C8=[N]7[Ni]59[N]3=C2C(=C2N9C(= C8)C(C2CCC(=O)O)CC(=O)O)C1=O)CCC(=O)O)C) C([C@]4(C)CC(=O)N)CCC(=O)O)CC(=O)O)C; C[ CH]1C[C]2(C)[CH](CC(O)=O)[CH]3CC4=N[CH]( C[C]56NC(=O)C[C]5(C)[CH](CCC(O)=O)C(=N6) C=C7[CH](CC(O)=O)[CH](CCC(O)=O)C(=C(C1=O )C2=N3)[N]7[Ni])[CH](CCC(O)=O)[C]4(C)CC( N)=O; CC1CC2(C(C3CC4=[N]5C(CC67C(CC(=O)N 6)(C(C8=[N]7[Ni]59[N]3=C2C(=C2N9C(=C8)C( C2CCC(=O)O)CC(=O)O)C1=O)CCC(=O)O)C)C(C4( C)CC(=O)N)CCC(=O)O)CC(=O)O)C; C[C@H]1C[C @@]2(C)[C@H](CC(O)=O)[C@@H]3CC4=N[C@@H]( C[C@]56NC(=O)C[C@@]5(C)[C@@H](CCC(O)=O)C (=N6)C=C7[C@H](CC(O)=O)[C@H](CCC(O)=O)C( =C(C1=O)C2=N3)[N@@]7[Ni])[C@@H](CCC(O)=O )[C@]4(C)CC(N)=O |
Dimethylated-F430 cofactor |
| 43820 | USP | 1 | C8 H10 N2 O2 | InChI=1S/C8H10N2O2/c1-10- 6-3-2-5(9)4-7(6)12-8(10)1 1/h2-4,8,11H,9H2,1H3/t8-/ m1/s1; SFDSWFBFHNEOAA-MRVPVSSYSA-N |
CN1[CH](O)Oc2cc(N)ccc12; CN1c2ccc(cc2OC1 O)N; CN1c2ccc(cc2O[C@H]1O)N; CN1[C@H](O) Oc2cc(N)ccc12; c1(ccc2c(c1)OC(O)N2C)N |
(2R)-6-amino-3-methyl-2,3-dihydro-1,3-benzoxazol-2-ol |
| 43821 | USQ DB02554 ZINC000008419260 |
1 | C15 H24 N2 O19 P2 S | InChI=1S/C15H24N2O19P2S/c 18-7-1-2-17(15(24)16-7)13 -11(22)8(19)5(33-13)3-32- 37(25,26)36-38(27,28)35-1 4-12(23)10(21)9(20)6(34-1 4)4-39(29,30)31/h1-2,5-6, 8-14,19-23H,3-4H2,(H,25,2 6)(H,27,28)(H,16,18,24)(H ,29,30,31)/t5-,6-,8-,9-,1 0+,11-,12-,13-,14-/m1/s1; FQANCGQCBCUSMI-JZMIEXBBSA-N |
C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP (=O)(O)OC3C(C(C(C(O3)CS(=O)(=O)O)O)O)O)O )O; O=P(OC1OC(C(O)C(O)C1O)CS(=O)(=O)O)(O )OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O ; O[C@H]1[C@H](O)[C@@H](C[S](O)(=O)=O)O[ 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]1O; O[CH]1[CH](O)[CH](C[S](O)(=O)=O) O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH] ([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH]1O; C 1=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)CS(=O)(=O)O) O)O)O)O)O |
SULFOQUINOVOSE-URIDINE-C1,5'-DIPHOSPHATE |
| 43822 | USR | 1 | C18 H31 N O15 | InChI=1S/C18H31NO15/c1-31 -16-13(28)15(12(27)8(4-21 )32-16)34-18(17(29)30)2-6 (23)10(19-9(25)5-22)14(33 -18)11(26)7(24)3-20/h6-8, 10-16,20-24,26-28H,2-5H2, 1H3,(H,19,25)(H,29,30)/t6 -,7-,8+,10+,11+,12-,13-,1 4+,15-,16+,18-/m0/s1; UWADXVSOESDFFH-VKYAEBFESA-N |
COC1C(C(C(C(O1)CO)O)OC2(CC(C(C(O2)C(C(CO )O)O)NC(=O)CO)O)C(=O)O)O; CO[C@@H]1O[C@H ](CO)[C@H](O)[C@H](O[C@@]2(C[C@H](O)[C@H ](NC(=O)CO)[C@@H](O2)[C@H](O)[C@@H](O)CO )C(O)=O)[C@@H]1O; CO[CH]1O[CH](CO)[CH](O )[CH](O[C]2(C[CH](O)[CH](NC(=O)CO)[CH](O 2)[CH](O)[CH](O)CO)C(O)=O)[CH]1O; OCC(O) C(O)C1OC(OC2C(O)C(OC)OC(CO)C2O)(CC(O)C1N C(=O)CO)C(=O)O; CO[C@H]1[C@@H]([C@@H]([C @H]([C@H](O1)CO)O)O[C@@]2(C[C@@H]([C@H]( [C@H](O2)[C@H]([C@H](CO)O)O)NC(=O)CO)O)C (=O)O)O |
methyl 3-O-[3,5-dideoxy-5-(2-hydroxyacetamido)-L-glycero-alpha-D-gulo-non-2-ulopyranonosyl]-beta-D-talopyranoside |
| 43823 | USS CHEMBL1108 DB00450 ZINC000019796080 |
1 | C22 H22 F N3 O2 | InChI=1S/C22H22FN3O2/c23- 17-9-7-16(8-10-17)21(27)6 -3-13-25-14-11-18(12-15-2 5)26-20-5-2-1-4-19(20)24- 22(26)28/h1-2,4-5,7-11H,3 ,6,12-15H2,(H,24,28); RMEDXOLNCUSCGS-UHFFFAOYSA-N |
Fc4ccc(C(=O)CCCN1CC=C(CC1)N2C(Nc3c2cccc3 )=O)cc4; Fc1ccc(cc1)C(=O)CCCN2CCC(=CC2)N 3C(=O)Nc4ccccc34; c1ccc2c(c1)NC(=O)N2C3= CCN(CC3)CCCC(=O)c4ccc(cc4)F |
3-[1-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-2,3,4,5-tetrahydropyridin-4-yl]-1~{H}-benzimidazol-2-one; droperidol |
| 43824 | UST | 1 | C15 H13 N O3 S | InChI=1S/C15H13NO3S/c17-1 1-12-5-7-14(8-6-12)20(18, 19)16-10-9-13-3-1-2-4-15( 13)16/h1-8,11H,9-10H2; FSHRLRMRVJPKFZ-UHFFFAOYSA-N |
c1ccc2c(c1)CCN2S(=O)(=O)c3ccc(cc3)C=O; O =Cc1ccc(cc1)[S](=O)(=O)N2CCc3ccccc23 |
4-(2,3-dihydroindol-1-ylsulfonyl)benzaldehyde |
| 43825 | USU | 52 | C27 H27 F N4 O3 | InChI=1S/C27H27FN4O3/c1-1 8-26(34)30(16-21-7-4-6-20 -5-2-3-8-23(20)21)17-24-3 1(14-13-25(33)32(18)24)27 (35)29-15-19-9-11-22(28)1 2-10-19/h2-12,18,24H,13-1 7H2,1H3,(H,29,35)/t18-,24 +/m0/s1; UJSSMRPTIGCTEH-MHECFPHRSA-N |
CC1C(=O)N(CC2N1C(=O)CCN2C(=O)NCc3ccc(cc3 )F)Cc4cccc5c4cccc5; C[C@H]1C(=O)N(C[C@H] 2N1C(=O)CCN2C(=O)NCc3ccc(cc3)F)Cc4cccc5c 4cccc5; Fc1ccc(cc1)CNC(=O)N1CCC(=O)N2C(C )C(=O)N(CC21)Cc1cccc2ccccc21; C[CH]1N2[C H](CN(Cc3cccc4ccccc34)C1=O)N(CCC2=O)C(=O )NCc5ccc(F)cc5; C[C@@H]1N2[C@H](CN(Cc3cc cc4ccccc34)C1=O)N(CCC2=O)C(=O)NCc5ccc(F) cc5 |
(5S,6S,9aS)-N-[(4-fluorophenyl)methyl]-6-methyl-8-[(naphthalen-1-yl)methyl]-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide |
| 43826 | USV | 2 | C22 H23 Cl2 N3 O3 S | InChI=1S/C22H23Cl2N3O3S/c 1-2-15-13-26(14-18-6-3-4- 9-25-18)22(28)21-8-5-7-20 (15)27(21)31(29,30)19-11- 16(23)10-17(24)12-19/h2-4 ,6,9-12,15,20-21H,1,5,7-8 ,13-14H2/t15-,20+,21-/m0/ s1; KKMVHLSJYZVTJM-RVHYNSKXSA-N |
Clc1cc(Cl)cc(c1)[S](=O)(=O)N2[CH]3CCC[CH ]2C(=O)N(C[CH]3C=C)Cc4ccccn4; C=C[C@H]1C N(C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c3cc(c c(c3)Cl)Cl)Cc4ccccn4; Clc1cc(Cl)cc(c1)[S ](=O)(=O)N2[C@@H]3CCC[C@H]2C(=O)N(C[C@@H ]3C=C)Cc4ccccn4; C=CC1CN(C(=O)C2CCCC1N2S (=O)(=O)c3cc(cc(c3)Cl)Cl)Cc4ccccn4 |
(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one |
| 43827 | USW | 1 | C15 H12 Cl N O4 S | InChI=1S/C15H12ClNO4S/c16 -12-3-6-14-15(9-12)21-8-7 -17(14)22(19,20)13-4-1-11 (10-18)2-5-13/h1-6,9-10H, 7-8H2; JBIHRNOVJUJFLI-UHFFFAOYSA-N |
Clc1ccc2N(CCOc2c1)[S](=O)(=O)c3ccc(C=O)c c3; c1cc(ccc1C=O)S(=O)(=O)N2CCOc3c2ccc(c 3)Cl |
4-[(7-chloranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde |
| 43828 | USX | 1 | C20 H20 N2 O5 | InChI=1S/C20H20N2O5/c1-12 (23)22-15-6-4-3-5-14(15)2 0(25)16(22)9-13-7-8-17(18 (10-13)26-2)27-11-19(21)2 4/h3-8,10,16H,9,11H2,1-2H 3,(H2,21,24)/t16-/m0/s1; DUXGCVPXJWCVOO-INIZCTEOSA-N |
CC(=O)N1c2ccccc2C(=O)C1Cc3ccc(c(c3)OC)OC C(=O)N; CC(=O)N1c2ccccc2C(=O)[C@@H]1Cc3c cc(c(c3)OC)OCC(=O)N; COc1cc(C[CH]2N(C(C) =O)c3ccccc3C2=O)ccc1OCC(N)=O; COc1cc(C[C @@H]2N(C(C)=O)c3ccccc3C2=O)ccc1OCC(N)=O |
2-[4-[[(2S)-1-ethanoyl-3-oxidanylidene-2H-indol-2-yl]methyl]-2-methoxy-phenoxy]ethanamide |
| 43829 | USY CHEMBL5192523 |
1 | C11 H14 F N3 O | InChI=1S/C11H14FN3O/c12-9 -5-3-8(4-6-9)10(16)2-1-7- 15-11(13)14/h3-6H,1-2,7H2 ,(H4,13,14,15); JGRDPVUWSFRGMI-UHFFFAOYSA-N |
[H]/N=C(/N)\NCCCC(=O)c1ccc(cc1)F; c1cc(c cc1C(=O)CCCNC(=N)N)F; C(=N)(\N)NCCCC(c1c cc(F)cc1)=O; NC(=N)NCCCC(=O)c1ccc(F)cc1 |
N-[4-(4-fluorophenyl)-4-oxobutyl]guanidine |
| 43830 | USZ | 1 | C28 H32 F N3 O2 | InChI=1S/C28H32FN3O2/c1-5 -25(33)32(24-13-11-22(12- 14-24)28(2,3)4)26(21-9-7- 16-30-19-21)27(34)31-17-1 5-20-8-6-10-23(29)18-20/h 6-14,16,18-19,26H,5,15,17 H2,1-4H3,(H,31,34)/t26-/m 1/s1; KGVPRQJQXHIIJH-AREMUKBSSA-N |
CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccn c2)C(=O)NCCc3cccc(c3)F; CCC(=O)N([CH](C( =O)NCCc1cccc(F)c1)c2cccnc2)c3ccc(cc3)C(C )(C)C; CCC(=O)N(c1ccc(cc1)C(C)(C)C)C(c2c ccnc2)C(=O)NCCc3cccc(c3)F; CCC(=O)N([C@@ H](C(=O)NCCc1cccc(F)c1)c2cccnc2)c3ccc(cc 3)C(C)(C)C |
~{N}-(4-~{tert}-butylphenyl)-~{N}-[(1~{R})-2-[2-(3-fluorophenyl)ethylamino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]propanamide |
| 43831 | UT0 | 1 | C19 H20 N2 O4 S | InChI=1S/C19H20N2O4S/c1-4 -25-19-8-6-15(13(2)22)11- 17(19)20-16-7-5-14-9-10-2 1(18(14)12-16)26(3,23)24/ h5-12,20H,4H2,1-3H3; OCKRWFCZZXKGGR-UHFFFAOYSA-N |
CCOc1ccc(cc1Nc2ccc3ccn(c3c2)[S](C)(=O)=O )C(C)=O; CCOc1ccc(cc1Nc2ccc3ccn(c3c2)S(= O)(=O)C)C(=O)C |
1-[4-ethoxy-3-[(1-methylsulfonylindol-6-yl)amino]phenyl]ethanone; UT07C |
| 43832 | UT2 CHEMBL3431003 ZINC000009662887 |
3 | C19 H17 N3 O7 S2 | InChI=1S/C19H17N3O7S2/c1- 28-14-6-3-12(4-7-14)21-31 (26,27)17-11-13(5-8-15(17 )29-2)20-19(23)16-9-10-18 (30-16)22(24)25/h3-11,21H ,1-2H3,(H,20,23); DYOXCKGIGMXWNR-UHFFFAOYSA-N |
COc1ccc(N[S](=O)(=O)c2cc(NC(=O)c3sc(cc3) [N](=O)=O)ccc2OC)cc1; COc1ccc(cc1)NS(=O) (=O)c2cc(ccc2OC)NC(=O)c3ccc(s3)N(=O)=O |
N-{4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl}-5-nitrothiophene-2-carboxamide; ~{N}-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-nitro-thiophene-2-carboxamide; N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-nitro-thiophene-2-carboxamide |
| 43833 | UT4 | 2 | C19 H18 N2 O4 S | InChI=1S/C19H18N2O4S/c22- 14-10-17(21-5-3-20-4-6-21 )25-18-13(11-26-19(14)18) 12-1-2-15-16(9-12)24-8-7- 23-15/h1-2,9-11,20H,3-8H2; QRWUATIRJXRWLX-UHFFFAOYSA-N |
O=C1C=C(Oc2c1scc2c3ccc4OCCOc4c3)N5CCNCC5 ; c1cc2c(cc1c3csc4c3OC(=CC4=O)N5CCNCC5)O CCO2; C2(C=C(N1CCNCC1)Oc3c2scc3c5ccc4OCC Oc4c5)=O |
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(piperazin-1-yl)-7H-thieno[3,2-b]pyran-7-one |
| 43834 | UT5 | 1 | C20 H21 F N4 O2 | InChI=1S/C20H21FN4O2/c1-1 1(26)23-14-5-3-12(9-14)19 -24-18-16(7-8-22-20(18)25 -19)15-6-4-13(21)10-17(15 )27-2/h4,6-8,10,12,14H,3, 5,9H2,1-2H3,(H,23,26)(H,2 2,24,25)/t12-,14-/m1/s1; KPPLCUYUCVJBTH-TZMCWYRMSA-N |
CC(=O)NC1CCC(C1)c2[nH]c3c(ccnc3n2)c4ccc( cc4OC)F; COc1cc(F)ccc1c2ccnc3nc([nH]c23) [C@@H]4CC[C@H](C4)NC(C)=O; CC(=O)N[C@@H] 1CC[C@H](C1)c2[nH]c3c(ccnc3n2)c4ccc(cc4O C)F; COc1cc(F)ccc1c2ccnc3nc([nH]c23)[CH] 4CC[CH](C4)NC(C)=O |
N-((1R,3R)-3-(7-(4-fluoro-2-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-2-yl)cyclopentyl)acetamide; ~{N}-[(1~{R},3~{R})-3-[7-(4-fluoranyl-2-methoxy-phenyl)-1~{H}-imidazo[4,5-b]pyridin-2-yl]cyclopentyl]ethanamide |
| 43835 | UT6 | 2 | C22 H23 Cl2 N3 O2 S | InChI=1S/C22H23Cl2N3O2S/c 1-2-15-13-26(14-18-6-3-4- 9-25-18)22(28)21-8-5-7-20 (15)27(21)30(29)19-11-16( 23)10-17(24)12-19/h2-4,6, 9-12,15,20-21H,1,5,7-8,13 -14H2/t15-,20+,21-,30+/m0 /s1; YFTZNIHUDDONNU-MIQCLTDXSA-N |
Clc1cc(Cl)cc(c1)[S@@](=O)N2[C@@H]3CCC[C@ H]2C(=O)N(C[C@@H]3C=C)Cc4ccccn4; C=C[C@H ]1CN(C(=O)[C@@H]2CCC[C@H]1N2[S@](=O)c3cc (cc(c3)Cl)Cl)Cc4ccccn4; Clc1cc(Cl)cc(c1) [S](=O)N2[CH]3CCC[CH]2C(=O)N(C[CH]3C=C)C c4ccccn4; C=CC1CN(C(=O)C2CCCC1N2S(=O)c3c c(cc(c3)Cl)Cl)Cc4ccccn4 |
(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfinyl-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one |
| 43836 | UT7 | 2 | C21 H36 N7 O17 P3 | InChI=1S/C21H36N7O17P3/c1 -21(2,16(32)19(33)24-4-3- 12(30)23-5-6-29)8-42-48(3 9,40)45-47(37,38)41-7-11- 15(44-46(34,35)36)14(31)2 0(43-11)28-10-27-13-17(22 )25-9-26-18(13)28/h9-11,1 4-16,20,29,31-32H,3-8H2,1 -2H3,(H,23,30)(H,24,33)(H ,37,38)(H,39,40)(H2,22,25 ,26)(H2,34,35,36)/t11-,14 -,15-,16+,20-/m1/s1; JHUGPYYCEXFQAL-IBOSZNHHSA-N |
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]( [C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)( O)O)[C@H](C(=O)NCCC(=O)NCCO)O; CC(C)(COP (=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncn c3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCO)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)ncn c23)[CH](O)C(=O)NCCC(=O)NCCO; 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)NCCO; OCCNC(=O)CCNC (C(O)C(COP(OP(O)(=O)OCC1C(OP(O)(O)=O)C(O )C(O1)n3c2ncnc(c2nc3)N)(O)=O)(C)C)=O |
oxa(dethia)-CoA; [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-4-({3-[(2-hydroxyethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate |
| 43837 | UT8 | 1 | C16 H15 N O5 S | InChI=1S/C16H15NO5S/c1-21 -13-4-7-15-16(10-13)22-9- 8-17(15)23(19,20)14-5-2-1 2(11-18)3-6-14/h2-7,10-11 H,8-9H2,1H3; MLUUQFXYDBEHMS-UHFFFAOYSA-N |
COc1ccc2N(CCOc2c1)[S](=O)(=O)c3ccc(C=O)c c3; COc1ccc2c(c1)OCCN2S(=O)(=O)c3ccc(cc3 )C=O |
4-[(7-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde |
| 43838 | UTA | 5 | C23 H38 N7 O18 P3 | InChI=1S/C23H38N7O18P3/c1 -12(31)43-7-6-25-14(32)4- 5-26-21(35)18(34)23(2,3)9 -45-51(41,42)48-50(39,40) 44-8-13-17(47-49(36,37)38 )16(33)22(46-13)30-11-29- 15-19(24)27-10-28-20(15)3 0/h10-11,13,16-18,22,33-3 4H,4-9H2,1-3H3,(H,25,32)( H,26,35)(H,39,40)(H,41,42 )(H2,24,27,28)(H2,36,37,3 8)/t13-,16-,17-,18+,22-/m 1/s1; YTFJZNGIRMRBLL-ZSJPKINUSA-N |
n1cnc2c(c1N)ncn2C3C(O)C(C(O3)COP(O)(=O)O P(OCC(C)(C)C(C(NCCC(NCCOC(C)=O)=O)=O)O)( =O)O)OP(O)(O)=O; CC(=O)OCCNC(=O)CCNC(=O) C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1 )n2cnc3c2ncnc3N)O)OP(=O)(O)O)O; CC(=O)OC CNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O P(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n 2cnc3c2ncnc3N)O)OP(=O)(O)O)O; CC(=O)OCCN C(=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)ncnc23; CC(=O)OCCNC(=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)ncnc23 |
acetyl-oxa(dethia)-CoA; (3R,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 acetate |
| 43839 | UTB CHEMBL3797341 ZINC000196517088 |
0 | C27 H20 N2 O5 | InChI=1S/C27H20N2O5/c30-1 4-22-21(31)12-23(34-22)29 -13-19(26(32)28-27(29)33) 9-5-15-4-6-18-8-7-16-2-1- 3-17-10-11-20(15)25(18)24 (16)17/h1-4,6-8,10-11,13, 21-23,30-31H,12,14H2,(H,2 8,32,33)/t21-,22+,23+/m0/ s1; SBUWMUFDYOCKMX-YTFSRNRJSA-N |
OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C#Cc3ccc4 ccc5cccc6ccc3c4c56)C(=O)NC2=O; c1cc2ccc3 ccc(c4c3c2c(c1)cc4)C#CC5=CN(C(=O)NC5=O)[ C@H]6C[C@@H]([C@H](O6)CO)O; OC[CH]1O[CH] (C[CH]1O)N2C=C(C#Cc3ccc4ccc5cccc6ccc3c4c 56)C(=O)NC2=O; c1cc2ccc3ccc(c4c3c2c(c1)c c4)C#CC5=CN(C(=O)NC5=O)C6CC(C(O6)CO)O |
1-[(2~{R},4~{S},5~{R})-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-(2-pyren-1-ylethynyl)pyrimidine-2,4-dione |
| 43840 | UTC CHEMBL2312139 ZINC000003960089 |
26 | C33 H32 N4 O4 | InChI=1S/C33H32N4O4/c38-2 7-15-13-23(14-16-27)19-29 -32(40)35(21-26-11-6-10-2 5-9-4-5-12-28(25)26)22-30 -36(18-17-31(39)37(29)30) 33(41)34-20-24-7-2-1-3-8- 24/h1-16,29-30,38H,17-22H 2,(H,34,41)/t29-,30+/m0/s 1; HQWTUOLCGKIECB-XZWHSSHBSA-N |
Oc1ccc(C[C@@H]2N3[C@H](CN(Cc4cccc5ccccc4 5)C2=O)N(CCC3=O)C(=O)NCc6ccccc6)cc1; c1c cc(cc1)CNC(=O)N2CCC(=O)N3[C@@H]2CN(C(=O) [C@@H]3Cc4ccc(cc4)O)Cc5cccc6c5cccc6; Oc1 ccc(C[CH]2N3[CH](CN(Cc4cccc5ccccc45)C2=O )N(CCC3=O)C(=O)NCc6ccccc6)cc1; Oc1ccc(cc 1)CC1C(=O)N(CC2N1C(=O)CCN2C(=O)NCc1ccccc 1)Cc1cccc2ccccc21; c1ccc(cc1)CNC(=O)N2CC C(=O)N3C2CN(C(=O)C3Cc4ccc(cc4)O)Cc5cccc6 c5cccc6 |
(5R,6S,9aS)-N-benzyl-6-[(4-hydroxyphenyl)methyl]-8-[(naphthalen-1-yl)methyl]-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide |
| 43841 | UTD CHEMBL3544895 |
1 | C21 H21 Cl F N O | InChI=1S/C21H21ClFNO/c22- 19-7-3-16(4-8-19)17-11-14 -24(15-12-17)13-1-2-21(25 )18-5-9-20(23)10-6-18/h3- 11H,1-2,12-15H2; ZNOLNAPJKOYTHY-UHFFFAOYSA-N |
Fc3ccc(C(=O)CCCN1CC=C(CC1)c2ccc(cc2)Cl)c c3; Fc1ccc(cc1)C(=O)CCCN2CCC(=CC2)c3ccc( Cl)cc3; c1cc(ccc1C2=CCN(CC2)CCCC(=O)c3cc c(cc3)F)Cl |
4-(4-cyclohexyl-3,4-dihydro-2~{H}-pyridin-1-yl)-1-(4-$l^{2}-fluoranylcyclohexa-1,3,5-trien-1-yl)butan-1-one |
| 43842 | UTE CHEMBL5220488 |
4 | C20 H14 F3 N3 O3 | InChI=1S/C20H14F3N3O3/c1- 11-5-3-4-6-15(11)29-16-8- 14(12(2)7-13(16)10-24)26- 18(27)9-17(20(21,22)23)25 -19(26)28/h3-9H,1-2H3,(H, 25,28); XSDNYWMZDXTSBT-UHFFFAOYSA-N |
Cc1ccccc1Oc2cc(N3C(=O)NC(=CC3=O)C(F)(F)F )c(C)cc2C#N; Cc1ccccc1Oc2cc(c(cc2C#N)C)N 3C(=O)C=C(NC3=O)C(F)(F)F |
4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-methyl-2-(2-methylphenoxy)benzenecarbonitrile; 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1~{H}-pyrimidin-3-yl]-5-methyl-2-(2-methylphenoxy)benzenecarbonitrile |
| 43843 | UTF | 2 | C43 H58 N6 O8 | InChI=1S/C43H58N6O8/c1-28 -39(53)44-23-11-8-16-33(4 2(56)57)47-36(51)26-43(21 -9-10-22-43)27-37(52)48-3 4(40(54)45-28)24-30-17-19 -32(20-18-30)46-41(55)38( 31-14-6-3-7-15-31)49-35(5 0)25-29-12-4-2-5-13-29/h2 ,4-5,12-13,17-20,28,31,33 -34,38H,3,6-11,14-16,21-2 7H2,1H3,(H,44,53)(H,45,54 )(H,46,55)(H,47,51)(H,48, 52)(H,49,50)(H,56,57)/t28 -,33+,34+,38+/m1/s1; LUYWYJLWEKKDHF-GNAOABQFSA-N |
C[C@H]1NC(=O)[C@H](Cc2ccc(NC(=O)[C@@H](N C(=O)Cc3ccccc3)C4CCCCC4)cc2)NC(=O)CC5(CC CC5)CC(=O)N[C@@H](CCCCNC1=O)C(O)=O; C[C@ @H]1C(=O)NCCCC[C@H](NC(=O)CC2(CCCC2)CC(= O)N[C@H](C(=O)N1)Cc3ccc(cc3)NC(=O)[C@H]( C4CCCCC4)NC(=O)Cc5ccccc5)C(=O)O; C[CH]1N C(=O)[CH](Cc2ccc(NC(=O)[CH](NC(=O)Cc3ccc cc3)C4CCCCC4)cc2)NC(=O)CC5(CCCC5)CC(=O)N [CH](CCCCNC1=O)C(O)=O; CC1C(=O)NCCCCC(NC (=O)CC2(CCCC2)CC(=O)NC(C(=O)N1)Cc3ccc(cc 3)NC(=O)C(C4CCCCC4)NC(=O)Cc5ccccc5)C(=O) O |
(9~{S},12~{R},19~{S})-9-[[4-[[(2~{S})-2-cyclohexyl-2-(2-phenylethanoylamino)ethanoyl]amino]phenyl]methyl]-12-methyl-7,10,13,21-tetrakis(oxidanylidene)-8,11,14,20-tetrazaspiro[4.17]docosane-19-carboxylic acid |
| 43844 | UTG CHEMBL1412109 ZINC000006513900 |
3 | C12 H11 Cl N2 O S | InChI=1S/C12H11ClN2OS/c13 -10-5-1-2-6-11(10)15-12(1 7)14-8-9-4-3-7-16-9/h1-7H ,8H2,(H2,14,15,17); QDQNQQPXAIJIJW-UHFFFAOYSA-N |
Clc1ccccc1NC(=S)NCc2occc2; c1ccc(c(c1)NC (=S)NCc2ccco2)Cl; c1cccc(c1NC(NCc2ccco2) =S)Cl |
N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea |
| 43845 | UTH ZINC000098209511 |
1 | C24 H24 N4 O3 | InChI=1S/C24H24N4O3/c1-13 -20(14(2)31-28-13)19-11-1 0-15-21(16(23(29)30)12-25 -22(15)27-19)26-18-9-7-6- 8-17(18)24(3,4)5/h6-12H,1 -5H3,(H,29,30)(H,25,26,27 ); PTXRSHPWCLHNBN-UHFFFAOYSA-N |
Cc1onc(C)c1c2ccc3c(Nc4ccccc4C(C)(C)C)c(c nc3n2)C(O)=O; O=C(O)c4c(Nc1ccccc1C(C)(C) C)c3c(nc(c2c(onc2C)C)cc3)nc4; Cc1c(c(on1 )C)c2ccc3c(c(cnc3n2)C(=O)O)Nc4ccccc4C(C) (C)C |
4-((2-(TERT-BUTYL)PHENYL)AMINO)-7-(3,5-dimethylisoxazol-4-yl)-1,8-naphthyridine-3-carboxylic acid |
| 43846 | UTI CHEMBL4529465 |
27 | C30 H33 Br F N3 O5 | InChI=1S/C30H33BrFN3O5/c1 -35(2)13-12-30(36,19-16-2 5(38-4)34-26(17-19)39-5)2 7(21-8-7-9-24(37-3)28(21) 32)22-15-18-14-20(31)10-1 1-23(18)33-29(22)40-6/h7- 11,14-17,27,36H,12-13H2,1 -6H3/t27-,30-/m1/s1; JJEGOJPMKLRSPJ-POURPWNDSA-N |
COc1cc(cc(OC)n1)[C](O)(CCN(C)C)[CH](c2cc cc(OC)c2F)c3cc4cc(Br)ccc4nc3OC; COc1cc(c c(OC)n1)[C@](O)(CCN(C)C)[C@H](c2cccc(OC) c2F)c3cc4cc(Br)ccc4nc3OC; CN(C)CC[C@@](c 1cc(nc(c1)OC)OC)([C@H](c2cccc(c2F)OC)c3c c4cc(ccc4nc3OC)Br)O; CN(C)CCC(c1cc(nc(c1 )OC)OC)(C(c2cccc(c2F)OC)c3cc4cc(ccc4nc3O C)Br)O |
(1~{S},2~{S})-1-(6-bromanyl-2-methoxy-quinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2-fluoranyl-3-methoxy-phenyl)butan-2-ol; TBAJ-587 |
| 43847 | UTJ CHEMBL4783333 |
8 | C17 H12 N2 | InChI=1S/C17H12N2/c18-10- 8-13-4-6-15(7-5-13)16-3-1 -2-14-9-11-19-12-17(14)16 /h1-7,9,11-12H,8H2; VIKXCGPZKMDDCE-UHFFFAOYSA-N |
n2cc3c(c1ccc(cc1)CC#N)cccc3cc2; c1cc2ccn cc2c(c1)c3ccc(cc3)CC#N; N#CCc1ccc(cc1)c2 cccc3ccncc23 |
[4-(isoquinolin-8-yl)phenyl]acetonitrile |
| 43848 | UTK CHEMBL5220817 |
8 | C19 H11 F4 N3 O3 | InChI=1S/C19H11F4N3O3/c1- 10-4-2-3-5-14(10)29-15-7- 13(12(20)6-11(15)9-24)26- 17(27)8-16(19(21,22)23)25 -18(26)28/h2-8H,1H3,(H,25 ,28); QAJPTKHORNTZSQ-UHFFFAOYSA-N |
Cc1ccccc1Oc2cc(N3C(=O)NC(=CC3=O)C(F)(F)F )c(F)cc2C#N; Cc1ccccc1Oc2cc(c(cc2C#N)F)N 3C(=O)C=C(NC3=O)C(F)(F)F |
4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile; 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1~{H}-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile |
| 43849 | UTL | 1 | C24 H36 F N3 O8 S2 | InChI=1S/C24H36FN3O8S2/c1 -14(2)11-18(28-23(32)36-1 3-24(3,4)37-17-7-5-16(25) 6-8-17)21(30)27-19(22(31) 38(33,34)35)12-15-9-10-26 -20(15)29/h5-8,14-15,18-1 9,22,31H,9-13H2,1-4H3,(H, 26,29)(H,27,30)(H,28,32)( H,33,34,35)/t15-,18-,19-, 22+/m0/s1; RNLOCKQDGJKCGN-SXTKRDDTSA-N |
CC(C)C[C@H](NC(=O)OCC(C)(C)Sc1ccc(F)cc1) C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@H](O)[S] (O)(=O)=O; CC(C)CC(C(=O)NC(CC1CCNC1=O)C( O)S(=O)(=O)O)NC(=O)OCC(C)(C)Sc2ccc(cc2)F ; CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC 1=O)[C@H](O)S(=O)(=O)O)NC(=O)OCC(C)(C)Sc 2ccc(cc2)F; CC(C)CC(NC(=O)OCC(C)(C)Sc1cc c(F)cc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O) O; CC(C)C[CH](NC(=O)OCC(C)(C)Sc1ccc(F)cc 1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O) (=O)=O |
(1R,2S)-2-{[N-({2-[(4-fluorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
| 43850 | UTM CHEMBL4779359 |
6 | C36 H35 N5 O | InChI=1S/C36H35N5O/c1-40- 16-18-41(19-17-40)25-27-7 -10-31(33-24-39-35-12-15- 38-23-34(33)35)36(21-27)4 2-20-13-26-5-8-29(9-6-26) 30-4-2-3-28-11-14-37-22-3 2(28)30/h2-12,14-15,21-24 ,39H,13,16-20,25H2,1H3; KOBJJEIVOKWSMI-UHFFFAOYSA-N |
N7(Cc1ccc(c(c1)OCCc2ccc(cc2)c3c4c(ccc3)c cnc4)c5cnc6c5cncc6)CCN(C)CC7; CN1CCN(CC1 )Cc2ccc(c(OCCc3ccc(cc3)c4cccc5ccncc45)c2 )c6c[nH]c7ccncc67; CN1CCN(CC1)Cc2ccc(c(c 2)OCCc3ccc(cc3)c4cccc5c4cncc5)c6c[nH]c7c 6cncc7 |
8-[4-(2-{5-[(4-methylpiperazin-1-yl)methyl]-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)phenoxy}ethyl)phenyl]isoquinoline |
| 43851 | UTN CHEMBL5220178 |
4 | C20 H14 F3 N3 O4 | InChI=1S/C20H14F3N3O4/c1- 11-5-3-4-6-14(11)30-15-8- 13(16(29-2)7-12(15)10-24) 26-18(27)9-17(20(21,22)23 )25-19(26)28/h3-9H,1-2H3, (H,25,28); GSEHYSQYWAECFH-UHFFFAOYSA-N |
Cc1ccccc1Oc2cc(c(cc2C#N)OC)N3C(=O)C=C(NC 3=O)C(F)(F)F; COc1cc(C#N)c(Oc2ccccc2C)cc 1N3C(=O)NC(=CC3=O)C(F)(F)F |
4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-methoxy-2-(2-methylphenoxy)benzenecarbonitrile; 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1~{H}-pyrimidin-3-yl]-5-methoxy-2-(2-methylphenoxy)benzenecarbonitrile |
| 43852 | UTO | 2 | C13 H12 N8 O | InChI=1S/C13H12N8O/c14-17 -13(22)9-4-5-10(16-7-9)8- 21-19-12(18-20-21)11-3-1- 2-6-15-11/h1-7H,8,14H2,(H ,17,22); IWWAKCDINOGSFB-UHFFFAOYSA-N |
c1ccnc(c1)c2nnn(n2)Cc3ccc(cn3)C(=O)NN; N NC(=O)c1ccc(Cn2nnc(n2)c3ccccn3)nc1 |
6-[(5-pyridin-2-yl-1,2$l^{4},3,4-tetrazacyclopenta-1,3-dien-2-yl)methyl]pyridine-3-carbohydrazide |
| 43853 | UTP CHEMBL336296 DB04005 ZINC000003861755 |
490 | C9 H15 N2 O15 P3 | InChI=1S/C9H15N2O15P3/c12 -5-1-2-11(9(15)10-5)8-7(1 4)6(13)4(24-8)3-23-28(19, 20)26-29(21,22)25-27(16,1 7)18/h1-2,4,6-8,13-14H,3H 2,(H,19,20)(H,21,22)(H,10 ,12,15)(H2,16,17,18)/t4-, 6-,7-,8-/m1/s1; PGAVKCOVUIYSFO-XVFCMESISA-N |
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@ H](O2)CO[P@@](=O)(O)O[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[P](O)(O)=O)N2C=CC(=O)N C2=O; O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC( N1C(=O)NC(=O)C=C1)C(O)C2O; C1=CN(C(=O)NC 1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O) (O)O)O)O; O[C@H]1[C@@H](O)[C@@H](O[C@@H] 1CO[P@](O)(=O)O[P@](O)(=O)O[P](O)(O)=O)N 2C=CC(=O)NC2=O |
URIDINE 5'-TRIPHOSPHATE |
| 43854 | UTQ CHEMBL5219727 |
4 | C13 H10 Cl F3 N2 O4 | InChI=1S/C13H10ClF3N2O4/c 1-22-8-4-9(23-2)7(3-6(8)1 4)19-11(20)5-10(13(15,16) 17)18-12(19)21/h3-5H,1-2H 3,(H,18,21); GGXGVBQCYFQKID-UHFFFAOYSA-N |
COc1cc(c(cc1N2C(=O)C=C(NC2=O)C(F)(F)F)Cl )OC; COc1cc(OC)c(cc1Cl)N2C(=O)NC(=CC2=O) C(F)(F)F |
3-(5-chloranyl-2,4-dimethoxy-phenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione; 3-(5-chloranyl-2,4-dimethoxy-phenyl)-6-(trifluoromethyl)-1~{H}-pyrimidine-2,4-dione |
| 43855 | UTR | 1 | C31 H31 N11 O10 | InChI=1S/C31H31N11O10/c32 -24-18-26(37-10-35-24)41( 12-39-18)29-22(45)21(44)1 6(52-29)9-50-7-3-6-17-40- 19-25(33)36-11-38-27(19)4 2(17)30-23(46)20(43)15(51 -30)8-34-28(47)13-4-1-2-5 -14(13)31(48)49/h1-2,4-5, 10-12,15-16,20-23,29-30,4 3-46H,7-9H2,(H,34,47)(H,4 8,49)(H2,32,35,37)(H2,33, 36,38)/t15-,16-,20-,21-,2 2-,23-,29-,30-/m1/s1; NRNHLMJONNXRGX-OJLPNRDSSA-N |
Nc1ncnc2n(cnc12)[CH]3O[CH](COCC#Cc4nc5c( N)ncnc5n4[CH]6O[CH](CNC(=O)c7ccccc7C(O)= O)[CH](O)[CH]6O)[CH](O)[CH]3O; Nc1ncnc2n (cnc12)[C@@H]3O[C@H](COCC#Cc4nc5c(N)ncnc 5n4[C@@H]6O[C@H](CNC(=O)c7ccccc7C(O)=O)[ C@@H](O)[C@H]6O)[C@@H](O)[C@H]3O; c1ccc( c(c1)C(=O)NCC2C(C(C(O2)n3c(nc4c3ncnc4N)C #CCOCC5C(C(C(O5)n6cnc7c6ncnc7N)O)O)O)O)C (=O)O; c1ccc(c(c1)C(=O)NC[C@@H]2[C@H]([C @H]([C@@H](O2)n3c(nc4c3ncnc4N)C#CCOC[C@@ H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N) O)O)O)O)C(=O)O |
2-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylcarbamoyl]benzoic acid |
| 43856 | UTS CHEMBL347547 ZINC000000167633 |
8 | C14 H12 N2 | InChI=1S/C14H12N2/c1-2-6- 12(7-3-1)10-16-11-15-13-8 -4-5-9-14(13)16/h1-9,11H, 10H2; MNEIJGDSFRHGMS-UHFFFAOYSA-N |
c1ccc(cc1)Cn2cnc3c2cccc3; c1ccc(cc1)Cn3c nc2ccccc23; C(n1cnc2ccccc12)c3ccccc3 |
1-benzyl-1H-benzimidazole |
| 43857 | UTT CHEMBL3617078 ZINC000473249053 |
4 | C17 H14 Cl F2 N5 O | InChI=1S/C17H14ClF2N5O/c1 -2-3-10-6-15(26)25-17(23- 10)11(7-21)16(24-25)22-8- 12-13(19)4-9(18)5-14(12)2 0/h4-6,23H,2-3,8H2,1H3,(H ,22,24); SFUVDTPAOHEGCQ-UHFFFAOYSA-N |
CCCC1=CC(=O)n2c(c(c(n2)NCc3c(cc(cc3F)Cl) F)C#N)N1; CCCC1=CC(=O)n2nc(NCc3c(F)cc(Cl )cc3F)c(C#N)c2N1 |
2-[[4-chloranyl-2,6-bis(fluoranyl)phenyl]methylamino]-7-oxidanylidene-5-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile; 2-[[4-chloranyl-2,6-bis(fluoranyl)phenyl]methylamino]-7-oxidanylidene-5-propyl-4~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile |
| 43858 | UTU | 1 | C24 H36 F N3 O8 S2 | InChI=1S/C24H36FN3O8S2/c1 -14(2)10-18(28-23(32)36-1 3-24(3,4)37-17-7-5-6-16(2 5)12-17)21(30)27-19(22(31 )38(33,34)35)11-15-8-9-26 -20(15)29/h5-7,12,14-15,1 8-19,22,31H,8-11,13H2,1-4 H3,(H,26,29)(H,27,30)(H,2 8,32)(H,33,34,35)/t15-,18 -,19-,22+/m0/s1; NFWHYSIWTLKADL-SXTKRDDTSA-N |
CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1= O)C(O)S(=O)(=O)O)NC(=O)OCC(C)(C)Sc2cccc( c2)F; CC(C)C[CH](NC(=O)OCC(C)(C)Sc1cccc( F)c1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S] (O)(=O)=O; CC(C)CC(C(=O)NC(CC1CCNC1=O)C( O)S(=O)(=O)O)NC(=O)OCC(C)(C)Sc2cccc(c2)F ; CC(C)CC(NC(=O)OCC(C)(C)Sc1cccc(F)c1)C( =O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O; CC(C)C[ C@H](NC(=O)OCC(C)(C)Sc1cccc(F)c1)C(=O)N[ C@@H](C[C@@H]2CCNC2=O)[C@H](O)[S](O)(=O) =O |
[2-(3-fluorophenyl)sulfanyl-2-methyl-propyl] ~{N}-[(2~{S})-1-[[3-[(3~{S})-2-$l^{3}-oxidanylidenepyrrolidin-3-yl]-1-$l^{1}-oxidanylsulfonyl-1-oxidanyl-propan-2-yl]-$l^{2}-azanyl]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate |
| 43859 | UTV CHEMBL4779860 |
2 | C18 H17 F2 N O2 | InChI=1S/C18H17F2NO2/c1-1 8(2)16(22)13-8-4-5-9-14(1 3)21(18)11-12-7-3-6-10-15 (12)23-17(19)20/h3-10,17H ,11H2,1-2H3; BSVSFPVFEQPRJW-UHFFFAOYSA-N |
c3(CN2C(C(c1ccccc12)=O)(C)C)ccccc3OC(F)F ; CC1(C(=O)c2ccccc2N1Cc3ccccc3OC(F)F)C; CC1(C)N(Cc2ccccc2OC(F)F)c3ccccc3C1=O |
1-{[2-(difluoromethoxy)phenyl]methyl}-2,2-dimethyl-1,2-dihydro-3H-indol-3-one |
| 43860 | UTX | 1 | C21 H29 B12 N6 O5 S | InChI=1S/C21H29B12N6O5S/c 34-10-7-13-45(15-19(40)37 -21(41)44-12-6-2-1-5-11-3 6-20-18(14-35)38(42)16-8- 3-4-9-17(16)39(20)43)33-2 8-23-22-24(23,28)26(22)27 (22)25(22,23)29(23,28,33) 31(25,27,33)32(26,27,33)3 0(24,26,28)33/h3-4,8-9,18 ,20,36,42-43,45H,1-2,5-7, 11-13,15H2,(H,37,40,41)/t 18-,20+/m1/s1; XGCBKBJDCVTBSO-QUCCMNQESA-N |
B1234B567B189B212B33%10B454B656B787B911B 232B4%105B7612S(CCC#N)CC(=O)NC(=O)OCCCCC CNC1C(N(c2ccccc2N1O)O)C#N; ON1[C@H](NCCC CCCOC(=O)NC(=O)C[SH](CCC#N)[B]2345[B]678 [B]9%10%11[B]%12%13%14[B]69%15[B]%12%16% 17[B]%13%18%19[B]%10%14%20[B]27%11[B]3%1 8%20[B]4%16%19[B]58%15%17)[C@@H](C#N)N(O )c%21ccccc1%21; ON1[CH](NCCCCCCOC(=O)NC( =O)C[SH](CCC#N)[B]2345[B]678[B]9%10%11[B ]%12%13%14[B]69%15[B]%12%16%17[B]%13%18% 19[B]%10%14%20[B]27%11[B]3%18%20[B]4%16% 19[B]58%15%17)[CH](C#N)N(O)c%21ccccc1%21 |
2-cyano-3-((6-(((2-((2-cyanoethyl)(borocaptate-10B)sulfonio)acetyl)carbamoyl)oxy)hexyl)amino)quinoxaline 1,4-dioxide; UTX-97 |
| 43861 | UTY CHEMBL4787790 |
6 | C28 H29 N7 O3 | InChI=1S/C28H29N7O3/c1-18 -15-33(9-10-34(18)25(37)1 7-36)27-31-13-21(14-32-27 )19-6-7-22-24(11-19)35(28 (2,3)26(22)38)16-20-5-4-8 -30-23(20)12-29/h4-8,11,1 3-14,18,36H,9-10,15-17H2, 1-3H3/t18-/m1/s1; BTHCNWXORDNTOR-GOSISDBHSA-N |
C[CH]1CN(CCN1C(=O)CO)c2ncc(cn2)c3ccc4C(= O)C(C)(C)N(Cc5cccnc5C#N)c4c3; C[C@@H]1CN (CCN1C(=O)CO)c2ncc(cn2)c3ccc4c(c3)N(C(C4 =O)(C)C)Cc5cccnc5C#N; N5(CCN(c1ncc(cn1)c 3ccc2C(=O)C(C)(N(c2c3)Cc4cccnc4C#N)C)CC5 C)C(CO)=O; CC1CN(CCN1C(=O)CO)c2ncc(cn2)c 3ccc4c(c3)N(C(C4=O)(C)C)Cc5cccnc5C#N; C[ C@@H]1CN(CCN1C(=O)CO)c2ncc(cn2)c3ccc4C(= O)C(C)(C)N(Cc5cccnc5C#N)c4c3 |
3-[(6-{2-[(3R)-4-(hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl}-2,2-dimethyl-3-oxo-2,3-dihydro-1H-indol-1-yl)methyl]pyridine-2-carbonitrile |
| 43862 | UU0 | 1 | C24 H32 O6 | InChI=1S/C24H32O6/c1-13-9 -18-17-6-5-15-10-16(26)7- 8-21(15,3)24(17)20(30-24) 11-22(18,4)23(13,28)19(27 )12-29-14(2)25/h10,13,17- 18,20,28H,5-9,11-12H2,1-4 H3/t13-,17+,18-,20+,21+,2 2+,23+,24-/m1/s1; FOTDGVYUEIORAP-ITJRCREZSA-N |
C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@] 4(C)[C@@]35O[C@H]5C[C@]2(C)[C@@]1(O)C(=O )COC(C)=O; CC1CC2C3CCC4=CC(=O)CCC4(C35C( O5)CC2(C1(C(=O)COC(=O)C)O)C)C; C[C@@H]1C [C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4([C@]35 [C@@H](O5)C[C@@]2([C@]1(C(=O)COC(=O)C)O) C)C; C[CH]1C[CH]2[CH]3CCC4=CC(=O)CC[C]4( C)[C]35O[CH]5C[C]2(C)[C]1(O)C(=O)COC(C)= O |
9,11-epoxy-17-hydroxypregn-4-ene-3,20-dione actate |
| 43863 | UU1 ZINC000012357746 |
17 | C5 H7 Br N2 O | InChI=1S/C5H7BrN2O/c6-5-3 -7-8(4-5)1-2-9/h3-4,9H,1- 2H2; REUWXYIZJBMWPB-UHFFFAOYSA-N |
n1cc(cn1CCO)Br; OCCn1cc(Br)cn1; c1c(cn(n 1)CCO)Br |
2-(4-bromo-1H-pyrazol-1-yl)ethan-1-ol |
| 43864 | UU2 | 4 | C25 H16 F3 N3 O3 | InChI=1S/C25H16F3N3O3/c1- 15-7-5-6-10-20(15)34-21-1 2-19(18(26)11-16(21)14-29 )31-23(32)13-22(30-24(31) 33)25(27,28)17-8-3-2-4-9- 17/h2-13H,1H3,(H,30,33); NQBGDOBAZUTXGR-UHFFFAOYSA-N |
Cc1ccccc1Oc2cc(N3C(=O)NC(=CC3=O)C(F)(F)c 4ccccc4)c(F)cc2C#N; Cc1ccccc1Oc2cc(c(cc2 C#N)F)N3C(=O)C=C(NC3=O)C(c4ccccc4)(F)F |
4-[6-[bis(fluoranyl)-phenyl-methyl]-2,4-bis(oxidanylidene)-1~{H}-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile; 4-[6-[bis(fluoranyl)-phenyl-methyl]-2,4-bis(oxidanylidene)-1H-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile |
| 43865 | UU3 DB08830 ZINC000001532648 |
1 | C6 H6 O6 | InChI=1S/C6H6O6/c7-1-2(8) 5-3(9)4(10)6(11)12-5/h2,5 ,7-8H,1H2/t2-,5+/m0/s1; SBJKKFFYIZUCET-JLAZNSOCSA-N |
OC[CH](O)[CH]1OC(=O)C(=O)C1=O; C(C(C1C(= O)C(=O)C(=O)O1)O)O; O=C1C(=O)OC(C1=O)C(O )CO; C([C@@H]([C@@H]1C(=O)C(=O)C(=O)O1)O )O; OC[C@H](O)[C@H]1OC(=O)C(=O)C1=O |
(5R)-5-[(1S)-1,2-bis(oxidanyl)ethyl]oxolane-2,3,4-trione; Dehydroascorbic Acid; DHA |
| 43866 | UU4 ZINC000098209512 |
0 | C7 H15 N3 O4 | InChI=1S/C7H15N3O4/c8-4(7 (13)14)1-2-10-6(12)5(9)3- 11/h4-5,11H,1-3,8-9H2,(H, 10,12)(H,13,14)/t4-,5-/m0 /s1; UQPMTXADSVZMFD-WHFBIAKZSA-N |
C(CNC(=O)C(CO)N)C(C(=O)O)N; N[C@@H](CO)C (=O)NCC[C@H](N)C(O)=O; O=C(NCCC(C(=O)O)N )C(N)CO; N[CH](CO)C(=O)NCC[CH](N)C(O)=O; C(CNC(=O)[C@H](CO)N)[C@@H](C(=O)O)N |
(2S)-2-amino-4-(L-serylamino)butanoic acid |
| 43867 | UU5 ZINC000098209513 |
0 | C6 H10 N2 O4 | InChI=1S/C6H10N2O4/c7-4(6 (11)12)1-2-8-5(10)3-9/h3- 4H,1-2,7H2,(H,8,10)(H,11, 12)/t4-/m0/s1; RNHFRBDAMXTSCX-BYPYZUCNSA-N |
C(CNC(=O)C=O)C(C(=O)O)N; O=C(O)C(N)CCNC( =O)C=O; C(CNC(=O)C=O)[C@@H](C(=O)O)N; N[ CH](CCNC(=O)C=O)C(O)=O; N[C@@H](CCNC(=O) C=O)C(O)=O |
(2S)-2-amino-4-[(oxoacetyl)amino]butanoic acid |
| 43868 | UU6 | 1 | C24 H26 N6 O | InChI=1S/C24H26N6O/c1-22( 2,31)18-5-8-29(12-18)20-1 0-21(27-15-26-20)30-19-9- 17(4-3-16(19)11-28-30)24( 14-25)13-23(24)6-7-23/h3- 4,9-11,15,18,31H,5-8,12-1 3H2,1-2H3/t18-,24-/m1/s1; JCQABEJXHUSDMF-HOYKHHGWSA-N |
CC(C)([C@@H]1CCN(C1)c2cc(ncn2)n3c4cc(ccc 4cn3)[C@@]5(CC56CC6)C#N)O; CC(C)(O)C1CCN (C1)c1cc(ncn1)n1ncc2ccc(cc21)C1(C#N)CC21 CC2; CC(C)(C1CCN(C1)c2cc(ncn2)n3c4cc(ccc 4cn3)C5(CC56CC6)C#N)O; CC(C)(O)[CH]1CCN( C1)c2cc(ncn2)n3ncc4ccc(cc34)[C]5(CC56CC6 )C#N; CC(C)(O)[C@@H]1CCN(C1)c2cc(ncn2)n3 ncc4ccc(cc34)[C@@]5(CC56CC6)C#N |
(1S)-1-[(1P)-1-{6-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl}-1H-indazol-6-yl]spiro[2.2]pentane-1-carbonitrile |
| 43869 | UU8 | 4 | C24 H16 F N3 O5 S | InChI=1S/C24H16FN3O5S/c1- 15-7-5-6-10-20(15)33-21-1 2-19(18(25)11-16(21)14-26 )28-23(29)13-22(27-24(28) 30)34(31,32)17-8-3-2-4-9- 17/h2-13H,1H3,(H,27,30); UEXYFUXKLNKXPX-UHFFFAOYSA-N |
Cc1ccccc1Oc2cc(c(cc2C#N)F)N3C(=O)C=C(NC3 =O)S(=O)(=O)c4ccccc4; Cc1ccccc1Oc2cc(N3C (=O)NC(=CC3=O)[S](=O)(=O)c4ccccc4)c(F)cc 2C#N |
4-[2,4-bis(oxidanylidene)-6-(phenylsulfonyl)-1H-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile; 4-[2,4-bis(oxidanylidene)-6-(phenylsulfonyl)-1~{H}-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile |
| 43870 | UUA | 1 | C9 H10 N2 O7 | InChI=1S/C9H10N2O7/c12-3- 1-2-11(9(17)10-3)7-5(14)4 (13)6(18-7)8(15)16/h1-2,4 -7,13-14H,(H,15,16)(H,10, 12,17)/t4-,5+,6-,7+/m0/s1; BMDRRZMODBSOPT-BNHYGAARSA-N |
O[C@@H]1[C@H](O)[C@H](O[C@H]1N2C=CC(=O)N C2=O)C(O)=O; O[CH]1[CH](O)[CH](O[CH]1N2C =CC(=O)NC2=O)C(O)=O; C1=CN(C(=O)NC1=O)[C @H]2[C@@H]([C@@H]([C@H](O2)C(=O)O)O)O; C 1=CN(C(=O)NC1=O)C2C(C(C(O2)C(=O)O)O)O |
uridine uronic acid |
| 43871 | UUB | 2 | C30 H33 Cl N6 O2 | InChI=1S/C30H33ClN6O2/c1- 37(2)16-6-11-28(38)34-20- 12-14-22(15-13-20)39-23-8 -5-7-21(17-23)35-30-33-19 -26(31)29(36-30)25-18-32- 27-10-4-3-9-24(25)27/h3-4 ,6,9-15,18-19,21,23,32H,5 ,7-8,16-17H2,1-2H3,(H,34, 38)(H,33,35,36)/t21-,23-/ m1/s1; DMUSMYYDKCXFKR-FYYLOGMGSA-N |
CN(C)CC=CC(=O)Nc1ccc(O[CH]2CCC[CH](C2)Nc 3ncc(Cl)c(n3)c4c[nH]c5ccccc45)cc1; CN(C) C/C=C/C(=O)Nc1ccc(cc1)O[C@@H]2CCC[C@H](C 2)Nc3ncc(c(n3)c4c[nH]c5c4cccc5)Cl; CN(C) C/C=C/C(=O)Nc1ccc(O[C@@H]2CCC[C@H](C2)Nc 3ncc(Cl)c(n3)c4c[nH]c5ccccc45)cc1; CN(C) CC=CC(=O)Nc1ccc(cc1)OC2CCCC(C2)Nc3ncc(c( n3)c4c[nH]c5c4cccc5)Cl |
(E)-N-[4-[(1R,3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyphenyl]-4-(dimethylamino)but-2-enamide; (~{E})-~{N}-[4-[(1~{R},3~{R})-3-[[5-chloranyl-4-(1~{H}-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyphenyl]-4-(dimethylamino)but-2-enamide |
| 43872 | UUC | 1 | C25 H32 N12 O9 S | InChI=1S/C25H32N12O9S/c26 -20-14-22(30-6-28-20)36(8 -32-14)24-18(40)17(39)12( 46-24)5-44-3-1-2-13-34-15 -21(27)29-7-31-23(15)37(1 3)25-19(41)16(38)11(45-25 )4-33-47(42,43)9-35(47)10 -47/h6-8,11-12,16-19,24-2 5,33,38-43H,3-5,9-10H2,(H 2,26,28,30)(H2,27,29,31)/ t11-,12-,16-,17-,18-,19-, 24-,25-/m1/s1; BJHXXPYZEKVTNN-AKONZDDMSA-N |
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C @H](O3)COCC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]( [C@@H]([C@H](O6)CNS78(CN7C8)(O)O)O)O)N)O )O)N; Nc1ncnc2n(cnc12)[CH]3O[CH](COCC#Cc 4nc5c(N)ncnc5n4[CH]6O[CH](CN[S]78(O)(O)C N7C8)[CH](O)[CH]6O)[CH](O)[CH]3O; Nc1ncn c2n(cnc12)[C@@H]3O[C@H](COCC#Cc4nc5c(N)n cnc5n4[C@@H]6O[C@H](CN[S]78(O)(O)CN7C8)[ C@@H](O)[C@H]6O)[C@@H](O)[C@H]3O; c1nc(c 2c(n1)n(cn2)C3C(C(C(O3)COCC#Cc4nc5c(ncnc 5n4C6C(C(C(O6)CNS78(CN7C8)(O)O)O)O)N)O)O )N |
(2~{R},3~{R},4~{S},5~{R})-2-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-[[[1,1-bis(oxidanyl)-1$l^{6}-thia-3-azabicyclo[1.1.0]butan-1-yl]amino]methyl]oxolane-3,4-diol |
| 43873 | UUD CHEMBL2206133 ZINC000000126108 |
4 | C9 H8 N2 O S | InChI=1S/C9H8N2OS/c1-6(12 )10-9-11-7-4-2-3-5-8(7)13 -9/h2-5H,1H3,(H,10,11,12); RIYZWBJLPINWTC-UHFFFAOYSA-N |
CC(=O)N=C1Nc2ccccc2S1; O=C(/N=C2\Sc1cccc c1N2)C; CC(=O)/N=C\1/Nc2ccccc2S1 |
N-(1,3-BENZOTHIAZOL-2-YL)ACETAMIDE |
| 43874 | UUE | 1 | C21 H28 B F2 N5 | InChI=1S/C21H28BF2N5/c1-6 -27-13-18(25-26-27)9-7-8- 10-19-20-14(2)11-16(4)28( 20)22(23,24)29-17(5)12-15 (3)21(19)29/h11-13H,6-10H 2,1-5H3; SOYAGSBCXYKTSE-UHFFFAOYSA-N |
CCn1cc(CCCCC2=C3C(=CC(=[N+]3[B-](F)(F)n4 c(C)cc(C)c24)C)C)nn1; [B-]1(n2c(cc(c2C(= C3[N+]1=C(C=C3C)C)CCCCc4cn(nn4)CC)C)C)(F )F |
8-[4-(1-ethyl-1,2,3-triazol-4-yl)butyl]-2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaene |
| 43875 | UUF | 1 | C22 H23 N7 O | InChI=1S/C22H23N7O/c1-21( 2,30)22-9-16(10-22)28(12- 22)19-8-20(24-13-23-19)29 -18-7-14(17-5-6-25-27-17) 3-4-15(18)11-26-29/h3-8,1 1,13,16,30H,9-10,12H2,1-2 H3,(H,25,27)/t16-,22-; VGHHZMPDXMQZDE-CIEDQVTBSA-N |
CC(C)(O)C12CC(C1)N(C2)c1cc(ncn1)n1ncc2cc c(cc12)c1ccn[NH]1; CC(C)(C12CC(C1)N(C2)c 3cc(ncn3)n4c5cc(ccc5cn4)c6ccn[nH]6)O; CC (C)(O)C12CC(C1)N(C2)c3cc(ncn3)n4ncc5ccc( cc45)c6[nH]ncc6 |
2-[(1r,4r)-2-{(6P)-6-[(6M)-6-(1H-pyrazol-5-yl)-1H-indazol-1-yl]pyrimidin-4-yl}-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol |
| 43876 | UUG ZINC000012359394 |
13 | C8 H9 Br O2 | InChI=1S/C8H9BrO2/c1-11-8 -4-7(9)3-2-6(8)5-10/h2-4, 10H,5H2,1H3; HBEIHPSICGGZIF-UHFFFAOYSA-N |
COc1cc(Br)ccc1CO; COc1cc(ccc1CO)Br; c1(c (OC)cc(cc1)Br)CO |
(4-bromo-2-methoxyphenyl)methanol |
| 43877 | UUH | 2 | C26 H36 B F2 N5 O4 | InChI=1S/C26H36BF2N5O4/c1 -14-9-16(3)33-23(14)19(24 -15(2)10-17(4)34(24)27(33 ,28)29)8-6-5-7-18-12-32(3 1-30-18)13-20-21(35)11-22 (36)26(38)25(20)37/h9-10, 12,20-22,25-26,35-38H,5-8 ,11,13H2,1-4H3/t20-,21-,2 2-,25+,26+/m0/s1; FESFUVRFRDTLFV-GZBLQCQNSA-N |
Cc1cc(C)c2n1[B-](F)(F)[N+]3=C(C)C=C(C)C3 =C2CCCCc4cn(C[CH]5[CH](O)C[CH](O)[CH](O) [CH]5O)nn4; [B-]1(n2c(cc(c2C(=C3[N+]1=C( C=C3C)C)CCCCc4cn(nn4)CC5C(CC(C(C5O)O)O)O )C)C)(F)F; [B-]1(n2c(cc(c2C(=C3[N+]1=C(C =C3C)C)CCCCc4cn(nn4)C[C@H]5[C@H](C[C@@H] ([C@H]([C@@H]5O)O)O)O)C)C)(F)F; Cc1cc(C) c2n1[B-](F)(F)[N+]3=C(C)C=C(C)C3=C2CCCCc 4cn(C[C@H]5[C@@H](O)C[C@H](O)[C@@H](O)[C @@H]5O)nn4 |
(1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[4-[4-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol |
| 43878 | UUI | 5 | C22 H24 Cl2 N4 O2 S | InChI=1S/C22H24Cl2N4O2S/c 1-2-15-13-27(14-18-6-3-4- 9-26-18)22(29)21-8-5-7-20 (15)28(21)31(25,30)19-11- 16(23)10-17(24)12-19/h2-4 ,6,9-12,15,20-21,25H,1,5, 7-8,13-14H2/t15-,20+,21-, 31-/m0/s1; CQIWVXGAJXNGRQ-BJHMJODQSA-N |
Clc1cc(Cl)cc(c1)[S](=N)(=O)N2[CH]3CCC[CH ]2C(=O)N(C[CH]3C=C)Cc4ccccn4; C=CC1CN(C( =O)C2CCCC1N2S(=N)(=O)c3cc(cc(c3)Cl)Cl)Cc 4ccccn4; Clc1cc(Cl)cc(c1)[S@@](=N)(=O)N2 [C@@H]3CCC[C@H]2C(=O)N(C[C@@H]3C=C)Cc4cc ccn4; C=C[C@H]1CN(C(=O)[C@@H]2CCC[C@H]1N 2S(=N)(=O)c3cc(cc(c3)Cl)Cl)Cc4ccccn4 |
(1S,5S,6R)-10-[[3,5-bis(chloranyl)phenyl]sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one |
| 43879 | UUJ CHEMBL2323844 ZINC000002516785 |
5 | C7 H4 Br N O | InChI=1S/C7H4BrNO/c8-6-1- 2-7(10)5(3-6)4-9/h1-3,10H; PVCONXMDUZOPJH-UHFFFAOYSA-N |
c1cc(c(cc1Br)C#N)O; Oc1ccc(Br)cc1C#N; c1 (cc(c(cc1)O)C#N)Br |
5-bromo-2-hydroxybenzonitrile |
| 43880 | UUK | 1 | C29 H41 N3 O4 | InChI=1S/C29H41N3O4/c1-22 (2)19-25(31-28(35)36-29(3 ,4)5)27(34)30-18-12-17-26 (33)32(20-23-13-8-6-9-14- 23)21-24-15-10-7-11-16-24 /h6-11,13-16,22,25H,12,17 -21H2,1-5H3,(H,30,34)(H,3 1,35)/t25-/m0/s1; RIIFVLHFONFLOV-VWLOTQADSA-N |
CC(C)C[C@@H](C(=O)NCCCC(=O)N(Cc1ccccc1)C c2ccccc2)NC(=O)OC(C)(C)C; CC(C)C[CH](NC( =O)OC(C)(C)C)C(=O)NCCCC(=O)N(Cc1ccccc1)C c2ccccc2; CC(C)C[C@H](NC(=O)OC(C)(C)C)C( =O)NCCCC(=O)N(Cc1ccccc1)Cc2ccccc2; CC(C) CC(C(=O)NCCCC(=O)N(Cc1ccccc1)Cc2ccccc2)N C(=O)OC(C)(C)C |
tert-butyl (1-((4-(dibenzylamino)-4-oxobutyl)amino)-4-methyl-1-oxopentan-2-yl)carbamate; ~{tert}-butyl ~{N}-[(2~{S})-1-[[4-[bis(phenylmethyl)amino]-4-oxidanylidene-butyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate; acrylamide inhibitor Gu3110 |
| 43881 | UUL CHEMBL1076555 ZINC000000206382 |
13 | C15 H11 Cl N2 O S | InChI=1S/C15H11ClN2OS/c16 -11-3-1-10(2-4-11)14-9-20 -15(18-14)17-12-5-7-13(19 )8-6-12/h1-9,19H,(H,17,18 ); ZFGXZJKLOFCECI-UHFFFAOYSA-N |
Oc1ccc(Nc2scc(n2)c3ccc(Cl)cc3)cc1; Clc3c cc(c1nc(sc1)Nc2ccc(O)cc2)cc3; c1cc(ccc1c 2csc(n2)Nc3ccc(cc3)O)Cl |
4-{[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino}phenol |
| 43882 | UUM ZINC000042752802 |
6 | C9 H10 N4 O2 | InChI=1S/C9H10N4O2/c1-6-3 -8(12-15-6)9(14)11-7-4-10 -13(2)5-7/h3-5H,1-2H3,(H, 11,14); NZGVYOGTUDYUSZ-UHFFFAOYSA-N |
Cc1cc(no1)C(=O)Nc2cnn(c2)C; Cn1cc(NC(=O) c2cc(C)on2)cn1; N(c1cn(C)nc1)C(=O)c2noc( C)c2 |
5-methyl-N-(1-methyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carboxamide |
| 43883 | UUN | 2 | C12 H11 N3 O3 S | InChI=1S/C12H11N3O3S/c16- 10-6-9(8-4-2-1-3-5-8)13-1 2(14-10)19-7-11(17)15-18/ h1-6,18H,7H2,(H,15,17)(H, 13,14,16); HEUAAARBOBGFCJ-UHFFFAOYSA-N |
ONC(=O)CSC1=NC(=CC(=O)N1)c2ccccc2; c1ccc (cc1)C2=CC(=O)NC(=N2)SCC(=O)NO; C(SC=1NC (=O)C=C(N=1)c2ccccc2)C(NO)=O |
N-hydroxy-2-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide |
| 43884 | UUO | 1 | C32 H41 N13 O7 | InChI=1S/C32H41N13O7/c1-2 -3-4-10-43(13-18-24(48)25 (49)31(52-18)44-16-41-21- 27(34)37-14-39-29(21)44)1 1-6-7-19-42-22-28(35)38-1 5-40-30(22)45(19)32-26(50 )23(47)17(51-32)12-36-20( 46)8-5-9-33/h1,14-18,23-2 6,31-32,47-50H,3-5,8-13,3 3H2,(H,36,46)(H2,34,37,39 )(H2,35,38,40)/t17-,18+,2 3-,24-,25-,26-,31+,32+/m1 /s1; VMWKFAZDSDSDGH-ZHQRKLEFSA-N |
NCCCC(=O)NC[CH]1O[CH]([CH](O)[CH]1O)n2c( nc3c(N)ncnc23)C#CCN(CCCC#C)C[CH]4O[CH]([ CH](O)[CH]4O)n5cnc6c(N)ncnc56; C#CCCCN(C C#Cc1nc2c(ncnc2n1C3C(C(C(O3)CNC(=O)CCCN) O)O)N)CC4C(C(C(O4)n5cnc6c5ncnc6N)O)O; C# CCCCN(CC#Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@ @H]([C@H](O3)CNC(=O)CCCN)O)O)N)C[C@@H]4[ C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O; NCCCC(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1 O)n2c(nc3c(N)ncnc23)C#CCN(CCCC#C)C[C@H]4 O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N)ncnc56 |
~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-pent-4-ynyl-amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-4-azanyl-butanamide |
| 43885 | UUP ZINC000043522977 |
4 | C10 H10 N4 O | InChI=1S/C10H10N4O/c15-10 (13-7-2-3-7)8-6-12-14-5-1 -4-11-9(8)14/h1,4-7H,2-3H 2,(H,13,15); IDVABKGFSZEUEE-UHFFFAOYSA-N |
c1cnc2c(cnn2c1)C(=O)NC3CC3; n1n3cccnc3c( c1)C(NC2CC2)=O; O=C(NC1CC1)c2cnn3cccnc23 |
N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide |
| 43886 | UUQ CHEMBL5219349 |
3 | C23 H14 F3 N3 O3 | InChI=1S/C23H14F3N3O3/c1- 13-6-2-5-9-18(13)32-19-10 -17(15-8-4-3-7-14(15)16(1 9)12-27)29-21(30)11-20(23 (24,25)26)28-22(29)31/h2- 11H,1H3,(H,28,31); JBKRLZPXWNTYBD-UHFFFAOYSA-N |
Cc1ccccc1Oc2cc(N3C(=O)NC(=CC3=O)C(F)(F)F )c4ccccc4c2C#N; Cc1ccccc1Oc2cc(c3ccccc3c 2C#N)N4C(=O)C=C(NC4=O)C(F)(F)F |
4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-(2-methylphenoxy)naphthalene-1-carbonitrile; 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1~{H}-pyrimidin-3-yl]-2-(2-methylphenoxy)naphthalene-1-carbonitrile |
| 43887 | UUR | 3 | C22 H33 N3 O8 S2 | InChI=1S/C22H33N3O8S2/c1- 14(2)12-17(25-22(29)33-10 -11-34-16-6-4-3-5-7-16)20 (27)24-18(21(28)35(30,31) 32)13-15-8-9-23-19(15)26/ h3-7,14-15,17-18,21,28H,8 -13H2,1-2H3,(H,23,26)(H,2 4,27)(H,25,29)(H,30,31,32 )/t15-,17-,18-,21-/m0/s1; AUIXPEVQDXBTHO-DBSRCYSRSA-N |
CC(C)C[CH](NC(=O)OCCSc1ccccc1)C(=O)N[CH] (C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O; CC(C )CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC (=O)OCCSc2ccccc2; CC(C)CC(NC(=O)OCCSc1cc ccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O; CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1= O)[C@@H](O)S(=O)(=O)O)NC(=O)OCCSc2ccccc2 ; CC(C)C[C@H](NC(=O)OCCSc1ccccc1)C(=O)N[ C@@H](C[C@@H]2CCNC2=O)[C@@H](O)[S](O)(=O )=O |
2-phenylsulfanylethyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate |
| 43888 | UUS | 10 | C7 H8 Br N O2 | InChI=1S/C7H8BrNO2/c8-6-1 -2-9(3-4-10)7(11)5-6/h1-2 ,5,10H,3-4H2; GQPBXJHZWYTNFM-UHFFFAOYSA-N |
C1=CN(C(=O)C=C1Br)CCO; OCCN1C=CC(=CC1=O) Br; C=1C(Br)=CC(N(C=1)CCO)=O |
4-bromo-1-(2-hydroxyethyl)pyridin-2(1H)-one |
| 43889 | UUT ZINC000013828061 |
1 | C9 H20 O4 | InChI=1S/C9H20O4/c1-7(11) 5-12-9(3)6-13-8(2)4-10/h7 -11H,4-6H2,1-3H3/t7-,8-,9 -/m0/s1; LCZVSXRMYJUNFX-CIUDSAMLSA-N |
C[C@@H](CO)OC[C@H](C)OC[C@H](C)O; C[CH]( O)CO[CH](C)CO[CH](C)CO; CC(CO)OCC(C)OCC( C)O; C[C@H](O)CO[C@@H](C)CO[C@@H](C)CO |
(2S)-2-{[(2S)-2-{[(2S)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol; (2~{S})-2-[(2~{S})-2-[(2~{S})-2-oxidanylpropoxy]propoxy]propan-1-ol |
| 43890 | UUU | 11 | C7 H15 N O5 | InChI=1S/C7H15NO5/c8-3-2( 1-9)4(10)6(12)7(13)5(3)11 /h2-7,9-13H,1,8H2/t2-,3+, 4-,5-,6-,7-/m0/s1; SWVTZDDSAFUTKS-OUIVRQFQSA-N |
C(C1C(C(C(C(C1O)O)O)O)N)O; C([C@@H]1[C@@ H]([C@@H]([C@H](C([C@@H]1N)O)O)O)O)O; N[ CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1CO; N[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H]( O)[C@H]1CO; C1(C(C(C(C(C1CO)N)O)O)O)O |
(1S,2S,3S,4S,5R,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol |
| 43891 | UUV CHEMBL4580967 ZINC000038074742 |
5 | C6 H9 Br N2 O | InChI=1S/C6H9BrN2O/c1-10- 3-2-9-5-6(7)4-8-9/h4-5H,2 -3H2,1H3; SJIMZWZHTDHXRI-UHFFFAOYSA-N |
COCCn1cc(Br)cn1; COCCn1cc(cn1)Br; n1n(cc (c1)Br)CCOC |
4-bromo-1-(2-methoxyethyl)-1H-pyrazole |
| 43892 | UUW | 1 | C31 H46 N4 O3 | InChI=1S/C31H46N4O3/c1-25 (2)22-28(33-29(36)18-11-1 2-21-34(3)4)31(38)32-20-1 3-19-30(37)35(23-26-14-7- 5-8-15-26)24-27-16-9-6-10 -17-27/h5-10,14-17,25,28H ,11-13,18-24H2,1-4H3,(H,3 2,38)(H,33,36)/t28-/m0/s1; MYOVPOSHNFZORZ-NDEPHWFRSA-N |
CC(C)C[C@H](NC(=O)CCCCN(C)C)C(=O)NCCCC(= O)N(Cc1ccccc1)Cc2ccccc2; CC(C)C[C@@H](C( =O)NCCCC(=O)N(Cc1ccccc1)Cc2ccccc2)NC(=O) CCCCN(C)C; CC(C)CC(C(=O)NCCCC(=O)N(Cc1cc ccc1)Cc2ccccc2)NC(=O)CCCCN(C)C; CC(C)C[C H](NC(=O)CCCCN(C)C)C(=O)NCCCC(=O)N(Cc1cc ccc1)Cc2ccccc2 |
N-(4-(dibenzylamino)-4-oxobutyl)-2-(5-(dimethylamino)pentanamido)-4-methylpentanamide; (2~{S})-~{N}-[4-[bis(phenylmethyl)amino]-4-oxidanylidene-butyl]-2-[5-(dimethylamino)pentanoylamino]-4-methyl-pentanamide; activity-based probe Gu3416; (2S)-N-[4-[bis(phenylmethyl)amino]-4-oxidanylidene-butyl]-2-[5-(dimethylamino)pentanoylamino]-4-methyl-pentanamide |
| 43893 | UUX | 2 | C24 H25 N5 | InChI=1S/C24H25N5/c1-16-1 9(15-17-11-7-5-8-12-17)25 -22(24(2,3)4)21(23-26-28- 29-27-23)20(16)18-13-9-6- 10-14-18/h5-14H,15H2,1-4H 3,(H,26,27,28,29); YWCRLYHHKHCFRP-UHFFFAOYSA-N |
CC(C)(C)c1nc(Cc2ccccc2)c(C)c(c1c1nnn[NH] 1)c1ccccc1; Cc1c(Cc2ccccc2)nc(c(c3[nH]nn n3)c1c4ccccc4)C(C)(C)C; Cc1c(nc(c(c1c2cc ccc2)c3[nH]nnn3)C(C)(C)C)Cc4ccccc4 |
(5M)-2-benzyl-6-tert-butyl-3-methyl-4-phenyl-5-(1H-tetrazol-5-yl)pyridine |
| 43894 | UUY ZINC000000167422 |
4 | C8 H12 N2 O | InChI=1S/C8H12N2O/c1-10(6 -7-11)8-4-2-3-5-9-8/h2-5, 11H,6-7H2,1H3; MWGKOPUDDQZERY-UHFFFAOYSA-N |
n1ccccc1N(C)CCO; CN(CCO)c1ccccn1 | 2-[methyl(pyridin-2-yl)amino]ethan-1-ol |
| 43895 | UUZ | 4 | C22 H14 Cl F3 N2 O3 | InChI=1S/C22H14ClF3N2O3/c 1-12-6-2-5-9-16(12)31-17- 10-15(13-7-3-4-8-14(13)20 (17)23)28-19(29)11-18(22( 24,25)26)27-21(28)30/h2-1 0H,11H2,1H3; PRDYNMSOAPXRSB-UHFFFAOYSA-N |
Cc1ccccc1Oc2cc(c3ccccc3c2Cl)N4C(=O)CC(=N C4=O)C(F)(F)F; Cc1ccccc1Oc2cc(N3C(=O)CC( =NC3=O)C(F)(F)F)c4ccccc4c2Cl |
3-[4-chloranyl-3-(2-methylphenoxy)naphthalen-1-yl]-6-(trifluoromethyl)-5~{H}-pyrimidine-2,4-dione |
| 43896 | UV0 | 1 | C35 H37 N13 O7 | InChI=1S/C35H37N13O7/c1-4 6(13-21-26(50)27(51)33(55 -21)47-16-43-23-29(36)39- 14-41-31(23)47)11-5-10-22 -45-24-30(37)40-15-42-32( 24)48(22)34-28(52)25(49)2 0(54-34)12-38-35(53)44-19 -9-4-7-17-6-2-3-8-18(17)1 9/h2-4,6-9,14-16,20-21,25 -28,33-34,49-52H,11-13H2, 1H3,(H2,36,39,41)(H2,37,4 0,42)(H2,38,44,53)/t20-,2 1-,25-,26-,27-,28-,33-,34 -/m1/s1; BRQIPZXOSHMOJF-YMWZHQEDSA-N |
CN(CC#Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H] ([C@H](O3)CNC(=O)Nc4cccc5c4cccc5)O)O)N)C [C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncn c8N)O)O; CN(CC#Cc1nc2c(ncnc2n1C3C(C(C(O3 )CNC(=O)Nc4cccc5c4cccc5)O)O)N)CC6C(C(C(O 6)n7cnc8c7ncnc8N)O)O; CN(CC#Cc1nc2c(N)nc nc2n1[CH]3O[CH](CNC(=O)Nc4cccc5ccccc45)[ CH](O)[CH]3O)C[CH]6O[CH]([CH](O)[CH]6O)n 7cnc8c(N)ncnc78; CN(CC#Cc1nc2c(N)ncnc2n1 [C@@H]3O[C@H](CNC(=O)Nc4cccc5ccccc45)[C@ @H](O)[C@H]3O)C[C@H]6O[C@H]([C@H](O)[C@@ H]6O)n7cnc8c(N)ncnc78 |
1-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-naphthalen-1-yl-urea |
| 43897 | UV1 ZINC000083255245 |
3 | C11 H13 N O2 | InChI=1S/C11H13NO2/c1-14- 10-6-3-5-9-8(10)4-2-7-11( 13)12-9/h3,5-6H,2,4,7H2,1 H3,(H,12,13); NEMWEYAZCVDHEF-UHFFFAOYSA-N |
COc1cccc2NC(=O)CCCc12; COc1cccc2c1CCCC(= O)N2; c2c1NC(CCCc1c(OC)cc2)=O |
6-methoxy-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one |
| 43898 | UV2 | 3 | C22 H33 N3 O8 S2 | InChI=1S/C22H33N3O8S2/c1- 14(2)12-17(25-22(29)33-10 -11-34-16-6-4-3-5-7-16)20 (27)24-18(21(28)35(30,31) 32)13-15-8-9-23-19(15)26/ h3-7,14-15,17-18,21,28H,8 -13H2,1-2H3,(H,23,26)(H,2 4,27)(H,25,29)(H,30,31,32 )/t15-,17-,18-,21+/m0/s1; AUIXPEVQDXBTHO-QUJKESNLSA-N |
CC(C)C[CH](NC(=O)OCCSc1ccccc1)C(=O)N[CH] (C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O; CC(C )C[C@H](NC(=O)OCCSc1ccccc1)C(=O)N[C@@H]( C[C@@H]2CCNC2=O)[C@H](O)[S](O)(=O)=O; CC (C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O) NC(=O)OCCSc2ccccc2; CC(C)CC(NC(=O)OCCSc1 ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O ; CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC 1=O)[C@H](O)S(=O)(=O)O)NC(=O)OCCSc2ccccc 2 |
(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[(N-{[2-(phenylsulfanyl)ethoxy]carbonyl}-L-leucyl)amino]propane-1-sulfonic acid |
| 43899 | UV3 ZINC000009970530 |
2 | C11 H11 Br N2 O2 | InChI=1S/C11H11BrN2O2/c12 -8-3-1-2-7-6(5-14-10(7)8) 4-9(13)11(15)16/h1-3,5,9, 14H,4,13H2,(H,15,16)/t9-/ m0/s1; VMMOOBBCGTVDGP-VIFPVBQESA-N |
N[C@@H](Cc1c[nH]c2c(Br)cccc12)C(O)=O; c1 cc2c(c[nH]c2c(c1)Br)CC(C(=O)O)N; N[CH](C c1c[nH]c2c(Br)cccc12)C(O)=O; c1cc2c(c[nH ]c2c(c1)Br)C[C@@H](C(=O)O)N |
7-bromo-L-tryptophan |
| 43900 | UV4 ZINC000584905702 |
4 | C14 H10 N2 O3 | InChI=1S/C14H10N2O3/c17-1 3(10-5-2-1-3-6-10)15-12-8 -4-7-11(9-12)14(18)16-19/ h1-9H,(H,15,17); BZGLPPUMZXGKFN-UHFFFAOYSA-N |
c1ccc(cc1)C(=O)Nc2cccc(c2)C(=O)N=O; O=NC (=O)c1cccc(NC(=O)c2ccccc2)c1; c1ccc(C(=O )N=O)cc1NC(=O)c2ccccc2 |
3-(benzoylamino)-N-oxobenzamide |
| 43901 | UV5 | 4 | C19 H13 F3 N6 O3 | InChI=1S/C19H13F3N6O3/c1- 23-16(30)10-5-7-27-13(8-1 0)26-15(11-4-2-3-6-24-11) 17(27)28-14(29)9-12(19(20 ,21)22)25-18(28)31/h2-8H, 9H2,1H3,(H,23,30); QORQCYPXGXBYBR-UHFFFAOYSA-N |
CNC(=O)c1ccn2c(c1)nc(c3ccccn3)c2N4C(=O)C C(=NC4=O)C(F)(F)F; CNC(=O)c1ccn2c(c1)nc( c2N3C(=O)CC(=NC3=O)C(F)(F)F)c4ccccn4 |
3-[2,6-bis(oxidanylidene)-4-(trifluoromethyl)-5~{H}-pyrimidin-1-yl]-~{N}-methyl-2-pyridin-2-yl-imidazo[1,2-a]pyridine-7-carboxamide |
| 43902 | UV6 | 4 | C18 H25 N O8 | InChI=1S/C18H25NO8/c1-8-5 -14(22)26-12-6-10(3-4-11( 8)12)25-18-15(19-9(2)21)1 7(24)16(23)13(7-20)27-18/ h3-4,6,8,13-18,20,22-24H, 5,7H2,1-2H3,(H,19,21)/t8- ,13-,14-,15-,16-,17-,18-/ m1/s1; STEBYXKOKBUTKJ-ZAIAHUIPSA-N |
C[C@@H]1C[C@@H](Oc2c1ccc(c2)O[C@H]3[C@@H ]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O ; C[C@@H]1C[C@H](O)Oc2cc(O[C@@H]3O[C@H]( CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)ccc12; CC1CC(Oc2c1ccc(c2)OC3C(C(C(C(O3)CO)O)O) NC(=O)C)O; C[CH]1C[CH](O)Oc2cc(O[CH]3O[C H](CO)[CH](O)[CH](O)[CH]3NC(C)=O)ccc12 |
~{N}-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-2-[[(2~{R},4~{R})-4-methyl-2-oxidanyl-3,4-dihydro-2~{H}-chromen-7-yl]oxy]-4,5-bis(oxidanyl)oxan-3-yl]ethanamide |
| 43903 | UV7 ZINC000037987327 |
3 | C6 H9 N3 O | InChI=1S/C6H9N3O/c1-5(10) 7-2-6-3-8-9-4-6/h3-4H,2H2 ,1H3,(H,7,10)(H,8,9); VFAFDDVJGKOBTH-UHFFFAOYSA-N |
CC(=O)NCc1c[nH]nc1; n1cc(cn1)CNC(C)=O | N-[(1H-pyrazol-4-yl)methyl]acetamide |
| 43904 | UV8 | 1 | C24 H27 Br O2 | InChI=1S/C24H27BrO2/c1-15 (12-17-6-7-18(22(26)27)14 -21(17)25)16-8-9-19-20(13 -16)24(4,5)11-10-23(19,2) 3/h6-9,12-14H,10-11H2,1-5 H3,(H,26,27); CTUBWRWXDXMLOB-UHFFFAOYSA-N |
CC(=Cc1ccc(cc1Br)C(O)=O)c2ccc3c(c2)C(C)( C)CCC3(C)C; CC(=Cc1ccc(cc1Br)C(=O)O)c2cc c3c(c2)C(CCC3(C)C)(C)C; O=C(O)c1ccc(c(Br )c1)\C=C(\c2ccc3c(c2)C(CCC3(C)C)(C)C)C; C\C(=C/c1ccc(cc1Br)C(O)=O)c2ccc3c(c2)C(C )(C)CCC3(C)C |
3-bromo-4-[(1E)-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl]benzoic acid |
| 43905 | UV9 ZINC000070654445 |
1 | C9 H18 N2 O | InChI=1S/C9H18N2O/c1-8(2) 3-5-9(11,6-4-8)7(10)12/h3 -6,11H2,1-2H3,(H2,10,12); SCEKEGZXSWOPCH-UHFFFAOYSA-N |
CC1(CCC(CC1)(C(=O)N)N)C; CC1(C)CCC(N)(CC 1)C(N)=O; O=C(N)C1(N)CCC(C)(C)CC1 |
1-amino-4,4-dimethylcyclohexane-1-carboxamide |
| 43906 | UVA ZINC000034246003 |
18 | C8 H11 N O2 S | InChI=1S/C8H11NO2S/c1-9-7 -5-3-4-6-8(7)12(2,10)11/h 3-6,9H,1-2H3; YLDKGNWSSXYUAH-UHFFFAOYSA-N |
CNc1ccccc1[S](C)(=O)=O; CNc1ccccc1S(=O)( =O)C; c1cc(S(C)(=O)=O)c(NC)cc1 |
N-methyl-2-(methylsulfonyl)aniline |
| 43907 | UVB | 1 | C12 H15 N O4 S | InChI=1S/C12H15NO4S/c14-9 -10-3-5-12(6-4-10)18(16,1 7)13-7-1-2-11(15)8-13/h3- 6,9,11,15H,1-2,7-8H2/t11- /m0/s1; YDKGHQGIUFOPLS-NSHDSACASA-N |
c1cc(ccc1C=O)S(=O)(=O)N2CCCC(C2)O; c1cc( ccc1C=O)S(=O)(=O)N2CCC[C@@H](C2)O; O[CH] 1CCCN(C1)[S](=O)(=O)c2ccc(C=O)cc2; O[C@H ]1CCCN(C1)[S](=O)(=O)c2ccc(C=O)cc2 |
4-[(3~{S})-3-oxidanylpiperidin-1-yl]sulfonylbenzaldehyde |
| 43908 | UVC | 8 | C9 H12 N2 O9 V | InChI=1S/C9H10N2O6.2H2O.O .V/c12-3-4-6(14)7(15)8(17 -4)11-2-1-5(13)10-9(11)16 ;;;;/h1-2,4,6-8,12H,3H2,( H,10,13,16);2*1H2;;/q-2;; ;;+4/p-2/t4-,6-,7-,8-;;;; /m1..../s1; JSPAHXDHRUTBDP-ODQFIEKDSA-L |
C1=CN(C(=O)NC1=O)C2C3C(C(O2)CO)O[V](=O)( O3)(O)O; C1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C @@H]([C@H](O2)CO)O[V](=O)(O3)(O)O; OC[CH ]1O[CH]([CH]2O[V](O)(O)(=O)O[CH]12)N3C=C C(=O)NC3=O; OC[C@H]1O[C@H]([C@@H]2O[V](O )(O)(=O)O[C@H]12)N3C=CC(=O)NC3=O; O=[V]1 (OC2C(OC(C2O1)CO)N3C=CC(=O)NC3=O)(O)O |
URIDINE-2',3'-VANADATE |
| 43909 | UVD CHEMBL1904189 ZINC000000036068 |
1 | C14 H14 N2 O2 | InChI=1S/C14H14N2O2/c1-18 -14(17)16-13-4-2-11(3-5-1 3)10-12-6-8-15-9-7-12/h2- 9H,10H2,1H3,(H,16,17); ZWUBZIQOXMHHOZ-UHFFFAOYSA-N |
n2ccc(Cc1ccc(cc1)NC(OC)=O)cc2; COC(=O)Nc 1ccc(Cc2ccncc2)cc1; COC(=O)Nc1ccc(cc1)Cc 2ccncc2 |
methyl {4-[(pyridin-4-yl)methyl]phenyl}carbamate |
| 43910 | UVE | 1 | C15 H13 N O4 S | InChI=1S/C15H13NO4S/c17-1 1-12-5-7-13(8-6-12)21(18, 19)16-9-10-20-15-4-2-1-3- 14(15)16/h1-8,11H,9-10H2; PPKCVZZBSKTFSM-UHFFFAOYSA-N |
c1ccc2c(c1)N(CCO2)S(=O)(=O)c3ccc(cc3)C=O ; O=Cc1ccc(cc1)[S](=O)(=O)N2CCOc3ccccc23 |
4-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)benzaldehyde |
| 43911 | UVF CHEMBL5424818 |
1 | C22 H24 N6 O2 | InChI=1S/C22H24N6O2/c1-2- 27-20-19(21(29)25-22(27)3 0)28(13-15-8-4-3-5-9-15)1 8(24-20)12-16-14-26-11-7- 6-10-17(26)23-16/h3-5,8-9 ,14H,2,6-7,10-13H2,1H3,(H ,25,29,30); XFMJUABYLXDYGS-UHFFFAOYSA-N |
CCN1c2c(n(c(n2)Cc3cn4c(n3)CCCC4)Cc5ccccc 5)C(=O)NC1=O; CCN1C(=O)NC(=O)c2n(Cc3cccc c3)c(Cc4cn5CCCCc5n4)nc12 |
3-ethyl-7-(phenylmethyl)-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione |
| 43912 | UVG ZINC000036165919 |
2 | C6 H9 N3 O | InChI=1S/C6H9N3O/c1-9(2)6 (10)5-3-7-8-4-5/h3-4H,1-2 H3,(H,7,8); XHOFWFVNVHZGMB-UHFFFAOYSA-N |
CN(C)C(=O)c1c[nH]nc1; n1ncc(c1)C(N(C)C)= O |
N,N-dimethyl-1H-pyrazole-4-carboxamide |
| 43913 | UVH | 1 | C14 H20 N2 O3 S | InChI=1S/C14H20N2O3S/c1-1 2(2)15-7-9-16(10-8-15)20( 18,19)14-5-3-13(11-17)4-6 -14/h3-6,11-12H,7-10H2,1- 2H3; KXGWDCYDOVLUHC-UHFFFAOYSA-N |
CC(C)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O; C C(C)N1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2 |
4-(4-propan-2-ylpiperazin-1-yl)sulfonylbenzaldehyde |
| 43914 | UVI | 1 | C28 H36 N12 O8 | InChI=1S/C28H36N12O8/c1-1 3(42)31-5-3-7-38(8-14-19( 43)21(45)27(47-14)39-12-3 6-17-23(29)32-10-34-25(17 )39)6-2-4-16-37-18-24(30) 33-11-35-26(18)40(16)28-2 2(46)20(44)15(9-41)48-28/ h10-12,14-15,19-22,27-28, 41,43-46H,3,5-9H2,1H3,(H, 31,42)(H2,29,32,34)(H2,30 ,33,35)/t14-,15-,19-,20-, 21-,22-,27-,28-/m1/s1; WIQFBUDBEHSDTI-VYHVXXRISA-N |
CC(=O)NCCCN(CC#Cc1nc2c(ncnc2n1[C@H]3[C@@ H]([C@@H]([C@H](O3)CO)O)O)N)C[C@@H]4[C@H ]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O; CC (=O)NCCCN(CC#Cc1nc2c(ncnc2n1C3C(C(C(O3)C O)O)O)N)CC4C(C(C(O4)n5cnc6c5ncnc6N)O)O; CC(=O)NCCCN(CC#Cc1nc2c(N)ncnc2n1[CH]3O[C H](CO)[CH](O)[CH]3O)C[CH]4O[CH]([CH](O)[ CH]4O)n5cnc6c(N)ncnc56; CC(=O)NCCCN(CC#C c1nc2c(N)ncnc2n1[C@@H]3O[C@H](CO)[C@@H]( O)[C@H]3O)C[C@H]4O[C@H]([C@H](O)[C@@H]4O )n5cnc6c(N)ncnc56 |
~{N}-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl]amino]propyl]ethanamide |
| 43915 | UVJ ZINC000000560684 |
2 | C11 H13 N3 O | InChI=1S/C11H13N3O/c1-8-1 3-9-4-2-3-5-10(9)14(8)7-6 -11(12)15/h2-5H,6-7H2,1H3 ,(H2,12,15); HZTUIHZIQKFSIL-UHFFFAOYSA-N |
Cc1nc2ccccc2n1CCC(N)=O; Cc1nc2ccccc2n1CC C(=O)N; n2(c1ccccc1nc2C)CCC(N)=O |
3-(2-methyl-1H-benzimidazol-1-yl)propanamide |
| 43916 | UVK | 1 | C15 H12 F N O4 S | InChI=1S/C15H12FNO4S/c16- 12-3-6-15-14(9-12)17(7-8- 21-15)22(19,20)13-4-1-11( 10-18)2-5-13/h1-6,9-10H,7 -8H2; NKYSMAFCOBNWNB-UHFFFAOYSA-N |
Fc1ccc2OCCN(c2c1)[S](=O)(=O)c3ccc(C=O)cc 3; c1cc(ccc1C=O)S(=O)(=O)N2CCOc3c2cc(cc3 )F |
4-[(6-fluoranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde |
| 43917 | UVM ZINC000000393697 |
1 | C7 H13 N O3 | InChI=1S/C7H13NO3/c1-2-11 -7(9)8-3-5-10-6-4-8/h2-6H 2,1H3; RTBBWCJKGBZVGL-UHFFFAOYSA-N |
CCOC(=O)N1CCOCC1; C1OCCN(C(OCC)=O)C1 | ethyl morpholine-4-carboxylate |
| 43918 | UVN | 1 | C11 H12 N2 O4 S | InChI=1S/C11H12N2O4S/c14- 8-9-1-3-10(4-2-9)18(16,17 )13-6-5-12-11(15)7-13/h1- 4,8H,5-7H2,(H,12,15); AGWGMFBDKFNHRP-UHFFFAOYSA-N |
c1cc(ccc1C=O)S(=O)(=O)N2CCNC(=O)C2; O=Cc 1ccc(cc1)[S](=O)(=O)N2CCNC(=O)C2 |
4-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzaldehyde |
| 43919 | UVO ZINC000038821552 |
1 | C7 H7 N O3 | InChI=1S/C7H7NO3/c1-11-5- 2-3-6(8-10)7(9)4-5/h2-4,9 H,1H3; RNBFLAJNUZQUIK-UHFFFAOYSA-N |
COc1ccc(N=O)c(O)c1; COc1ccc(c(c1)O)N=O; O=Nc1ccc(cc1O)OC |
5-methoxy-2-nitrosophenol |
| 43920 | UVP | 0 | C11 H16 N2 O8 P | InChI=1S/C11H15N2O8P/c1-2 0-9-8(15)6(3-5-22(17,18)1 9)21-10(9)13-4-2-7(14)12- 11(13)16/h2-6,8-10,15H,1H 3,(H3,12,14,16,17,18,19)/ p+1/b5-3+/t6-,8-,9-,10-/m 1/s1; XBCZHNUNHZIGAE-JKXAUABFSA-O |
CO[C@@H]1[C@H](O)[C@H](O[C@H]1[n+]2ccc(O )nc2O)\C=C\[P](O)(O)=O; CO[C@@H]1[C@@H]( [C@H](O[C@H]1[n+]2ccc(nc2O)O)/C=C/P(=O)( O)O)O; O=P(O)([C@H]=CC1OC(C(C1O)OC)[n+]2 c(O)nc(O)cc2)O; CO[CH]1[CH](O)[CH](O[CH] 1[n+]2ccc(O)nc2O)C=C[P](O)(O)=O; COC1C(C (OC1[n+]2ccc(nc2O)O)C=CP(=O)(O)O)O |
1-[(5E)-5,6-dideoxy-2-O-methyl-6-phosphono-beta-D-ribo-hex-5-enofuranosyl]-2,4-dihydroxypyrimidin-1-ium; uridine vinyl phosphonate |
| 43921 | UVQ | 1 | C16 H14 F N O3 S | InChI=1S/C16H14FNO3S/c17- 14-5-8-16-13(10-14)2-1-9- 18(16)22(20,21)15-6-3-12( 11-19)4-7-15/h3-8,10-11H, 1-2,9H2; HFGLWYIDQNXWJN-UHFFFAOYSA-N |
c1cc(ccc1C=O)S(=O)(=O)N2CCCc3c2ccc(c3)F; Fc1ccc2N(CCCc2c1)[S](=O)(=O)c3ccc(C=O)c c3 |
4-[(6-fluoranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde |
| 43922 | UVS CHEMBL1430496 ZINC000001076074 |
7 | C4 H7 N3 O S | InChI=1S/C4H7N3OS/c1-8-2- 3-6-7-4(5)9-3/h2H2,1H3,(H 2,5,7); ZLDOCTTXAVVDHG-UHFFFAOYSA-N |
COCc1nnc(s1)N; n1nc(COC)sc1N; COCc1sc(N) nn1 |
5-(methoxymethyl)-1,3,4-thiadiazol-2-amine |
| 43923 | UVT | 1 | C12 H15 N O3 S | InChI=1S/C12H15NO3S/c1-10 -3-2-8-13(10)17(15,16)12- 6-4-11(9-14)5-7-12/h4-7,9 -10H,2-3,8H2,1H3/t10-/m0/ s1; SUVLDBQTTBXTBR-JTQLQIEISA-N |
C[C@H]1CCCN1S(=O)(=O)c2ccc(cc2)C=O; C[CH ]1CCCN1[S](=O)(=O)c2ccc(C=O)cc2; CC1CCCN 1S(=O)(=O)c2ccc(cc2)C=O; C[C@H]1CCCN1[S] (=O)(=O)c2ccc(C=O)cc2 |
4-[(2~{S})-2-methylpyrrolidin-1-yl]sulfonylbenzaldehyde |
| 43924 | UVU CHEMBL5423736 |
3 | C25 H24 N8 O2 S | InChI=1S/C25H24N8O2S/c1-4 -32-22-21(23(34)28-24(32) 35)33(13-16-5-7-17(8-6-16 )19-9-10-30(3)29-19)20(27 -22)11-18-14-31-12-15(2)3 6-25(31)26-18/h5-10,12,14 H,4,11,13H2,1-3H3,(H,28,3 4,35); RLVQMIFZROVBAO-UHFFFAOYSA-N |
CCN1c2c(n(c(n2)Cc3cn4cc(sc4n3)C)Cc5ccc(c c5)c6ccn(n6)C)C(=O)NC1=O; CCN1C(=O)NC(=O )c2n(Cc3ccc(cc3)c4ccn(C)n4)c(Cc5cn6cc(C) sc6n5)nc12 |
3-ethyl-8-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione |
| 43925 | UVV ZINC000082164531 |
1 | C7 H10 N2 O | InChI=1S/C7H10N2O/c1-5-3- 4-6(8)7(10)9(5)2/h3-4H,8H 2,1-2H3; VFLVYBUNQQTDOV-UHFFFAOYSA-N |
N1(C(C)=CC=C(C1=O)N)C; CC1=CC=C(C(=O)N1C )N; CN1C(=CC=C(N)C1=O)C |
3-amino-1,6-dimethylpyridin-2(1H)-one |
| 43926 | UVW DB02897 ZINC000003869379 |
36 | C2 H5 O5 P | InChI=1S/C2H5O5P/c1-2(3)7 -8(4,5)6/h1H3,(H2,4,5,6); LIPOUNRJVLNBCD-UHFFFAOYSA-N |
CC(=O)O[P](O)(O)=O; CC(=O)OP(=O)(O)O; O= C(OP(=O)(O)O)C |
ACETYLPHOSPHATE |
| 43927 | UVX ZINC000064437274 |
0 | C12 H15 N2 O8 P | InChI=1S/C12H15N2O8P/c1-6 -4-12(5-21-23(18,19)20)9( 16)8(6)10(22-12)14-3-2-7( 15)13-11(14)17/h2-3,8-10, 16H,1,4-5H2,(H,13,15,17)( H2,18,19,20)/t8-,9+,10-,1 2-/m1/s1; OJPKMNNCEVWWCI-DTHBNOIPSA-N |
C=C1CC2(C(C1C(O2)N3C=CC(=O)NC3=O)O)COP(= O)(O)O; O[CH]1[CH]2[CH](O[C]1(CO[P](O)(O )=O)CC2=C)N3C=CC(=O)NC3=O; C=C1C[C@]2([C @H]([C@@H]1[C@@H](O2)N3C=CC(=O)NC3=O)O)C OP(=O)(O)O; O[C@H]1[C@@H]2[C@@H](O[C@@]1 (CO[P](O)(O)=O)CC2=C)N3C=CC(=O)NC3=O; O= P(O)(O)OCC23OC(N1C(=O)NC(=O)C=C1)C(C(=C) \C2)C3O |
[(1R,3R,4R,7S)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-7-hydroxy-5-methylidene-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate |
| 43928 | UVY ZINC000053751892 |
1 | C7 H12 N2 O | InChI=1S/C7H12N2O/c1-2-9- 6-7(3-4-10)5-8-9/h5-6,10H ,2-4H2,1H3; GQXSHPZGPIOSHQ-UHFFFAOYSA-N |
CCn1cc(CCO)cn1; CCn1cc(cn1)CCO; n1cc(CCO )cn1CC |
2-(1-ethyl-1H-pyrazol-4-yl)ethan-1-ol |
| 43929 | UVZ | 1 | C16 H14 Cl N O3 S | InChI=1S/C16H14ClNO3S/c17 -14-5-8-16-13(10-14)2-1-9 -18(16)22(20,21)15-6-3-12 (11-19)4-7-15/h3-8,10-11H ,1-2,9H2; DUQPZLJNAYHRKH-UHFFFAOYSA-N |
c1cc(ccc1C=O)S(=O)(=O)N2CCCc3c2ccc(c3)Cl ; Clc1ccc2N(CCCc2c1)[S](=O)(=O)c3ccc(C=O )cc3 |
4-[(6-chloranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde |
| 43930 | UW0 | 8 | C19 H24 N O5 P | InChI=1S/C19H24NO5P/c21-1 9(20(22)15-7-10-16-8-3-1- 4-9-16)14-13-18(26(23,24) 25)17-11-5-2-6-12-17/h1-6 ,8-9,11-12,18,22H,7,10,13 -15H2,(H2,23,24,25)/t18-/ m0/s1; RTIJODKNBIFSGN-SFHVURJKSA-N |
ON(CCCc1ccccc1)C(=O)CC[CH](c2ccccc2)[P]( O)(O)=O; c1ccc(cc1)CCCN(C(=O)CC[C@@H](c2 ccccc2)P(=O)(O)O)O; ON(CCCc1ccccc1)C(=O) CC[C@@H](c2ccccc2)[P](O)(O)=O; c1ccc(cc1 )CCCN(C(=O)CCC(c2ccccc2)P(=O)(O)O)O |
[(1~{S})-4-oxidanylidene-4-[oxidanyl(3-phenylpropyl)amino]-1-phenyl-butyl]phosphonic acid |
| 43931 | UW1 CHEMBL3109011 |
1 | C19 H23 N5 O2 | InChI=1S/C19H23N5O2/c1-5- 26-13-7-6-11-8-12(10-22-1 4(11)9-13)16-15(18(21)25) 17(20)24(23-16)19(2,3)4/h 6-10H,5,20H2,1-4H3,(H2,21 ,25); XZLFLNWUBLMFQW-UHFFFAOYSA-N |
CCOc1ccc2cc(cnc2c1)c3c(c(n(n3)C(C)(C)C)N )C(=O)N; CCOc1ccc2cc(cnc2c1)c3nn(c(N)c3C (N)=O)C(C)(C)C; O=C(c3c(N)n(nc3c1cnc2c(c 1)ccc(OCC)c2)C(C)(C)C)N |
5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)-1H-pyrazole-4-carboxamide |
| 43932 | UW2 CHEMBL4536241 ZINC000098209515 |
1 | C21 H22 N6 O2 | InChI=1S/C21H22N6O2/c1-21 (2,28)10-27-20-17(19(22)2 3-11-24-20)18(26-27)13-3- 7-15-12(9-13)4-8-16(25-15 )29-14-5-6-14/h3-4,7-9,11 ,14,28H,5-6,10H2,1-2H3,(H 2,22,23,24); NJEBVFDXJAFAGB-UHFFFAOYSA-N |
CC(C)(Cn1c2c(c(n1)c3ccc4c(c3)ccc(n4)OC5C C5)c(ncn2)N)O; n1c(c2c(nc1)n(nc2c5cc4ccc (OC3CC3)nc4cc5)CC(O)(C)C)N; CC(C)(O)Cn1n c(c2ccc3nc(OC4CC4)ccc3c2)c5c(N)ncnc15 |
1-{4-amino-3-[2-(cyclopropyloxy)quinolin-6-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol |
| 43933 | UW3 CHEMBL5785974 ZINC000212415323 |
1 | C23 H27 N5 O2 | InChI=1S/C23H27N5O2/c24-2 2-20(23(25)29)21(27-28(22 )16-5-2-1-3-6-16)15-11-14 -9-10-18(12-19(14)26-13-1 5)30-17-7-4-8-17/h9-13,16 -17H,1-8,24H2,(H2,25,29); AJQKERUGIYLYDN-UHFFFAOYSA-N |
NC(=O)c1c(N)n(nc1c2cnc3cc(OC4CCC4)ccc3c2 )C5CCCCC5; c1cc(cc2c1cc(cn2)c3c(c(n(n3)C 4CCCCC4)N)C(=O)N)OC5CCC5; O=C(c1c(N)n(nc 1c3cc4ccc(OC2CCC2)cc4nc3)C5CCCCC5)N |
5-amino-3-[7-(cyclobutyloxy)quinolin-3-yl]-1-cyclohexyl-1H-pyrazole-4-carboxamide |
| 43934 | UW4 CHEMBL3769990 ZINC000221703526 |
1 | C21 H25 N5 O2 | InChI=1S/C21H25N5O2/c1-21 (2,3)26-19(22)17(20(23)27 )18(25-26)13-7-9-15-12(11 -13)8-10-16(24-15)28-14-5 -4-6-14/h7-11,14H,4-6,22H 2,1-3H3,(H2,23,27); BTTULLMSRICKGC-UHFFFAOYSA-N |
O=C(c1c(n(C(C)(C)C)nc1c3ccc2nc(ccc2c3)OC 4CCC4)N)N; CC(C)(C)n1nc(c2ccc3nc(OC4CCC4 )ccc3c2)c(C(N)=O)c1N; CC(C)(C)n1c(c(c(n1 )c2ccc3c(c2)ccc(n3)OC4CCC4)C(=O)N)N |
5-amino-1-tert-butyl-3-[2-(cyclobutyloxy)quinolin-6-yl]-1H-pyrazole-4-carboxamide |
| 43935 | UW5 CHEMBL4571877 |
1 | C22 H23 N5 O2 | InChI=1S/C22H23N5O2/c1-22 (2,28)11-27-21-18(20(23)2 4-12-25-21)19(26-27)15-4- 3-14-10-17(29-16-7-8-16)6 -5-13(14)9-15/h3-6,9-10,1 2,16,28H,7-8,11H2,1-2H3,( H2,23,24,25); NYCAEKAKFOSFFT-UHFFFAOYSA-N |
CC(C)(O)Cn1nc(c2ccc3cc(OC4CC4)ccc3c2)c5c (N)ncnc15; CC(C)(Cn1c2c(c(n1)c3ccc4cc(cc c4c3)OC5CC5)c(ncn2)N)O; OC(Cn2c1ncnc(c1c (n2)c3ccc4c(c3)ccc(c4)OC5CC5)N)(C)C |
1-{4-amino-3-[6-(cyclopropyloxy)naphthalen-2-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol; UW1553 |
| 43936 | UW6 ZINC000017108644 |
1 | C5 H6 N2 O | InChI=1S/C5H6N2O/c1-4-2-5 (8)7-6-3-4/h2-3H,1H3,(H,7 ,8); MMDFKVYPOQFQHP-UHFFFAOYSA-N |
CC1=CC(=O)NN=C1; O=C1C=C(C)C=NN1 | 5-methylpyridazin-3(2H)-one |
| 43937 | UW7 ZINC000082396043 |
1 | C8 H11 N3 O2 | InChI=1S/C8H11N3O2/c1-11- 7-4-5(8(12)13)2-3-6(7)9-1 0-11/h5H,2-4H2,1H3,(H,12, 13)/t5-/m0/s1; KSSGMJJRJZLREA-YFKPBYRVSA-N |
Cn1nnc2CC[CH](Cc12)C(O)=O; n2n(c1CC(C(O) =O)CCc1n2)C; Cn1nnc2CC[C@@H](Cc12)C(O)=O ; Cn1c2c(nn1)CCC(C2)C(=O)O; Cn1c2c(nn1)C C[C@@H](C2)C(=O)O |
(6S)-1-methyl-4,5,6,7-tetrahydro-1H-benzotriazole-6-carboxylic acid |
| 43938 | UW8 | 6 | C18 H18 O21 Ti | InChI=1S/3C6H7O7.Ti/c3*7- 3(8)1-6(13,5(11)12)2-4(9) 10;/h3*1-2H2,(H,7,8)(H,9, 10)(H,11,12);/q3*-1;+6/p- 3; MTEIPJBPJJNUGP-UHFFFAOYSA-K |
C(C(=O)O)C1(C(=O)O[Ti]23(O1)(OC(=O)C(O2) (CC(=O)O)CC(=O)O)OC(=O)C(O3)(CC(=O)O)CC( =O)O)CC(=O)O; OC(=O)CC1(CC(O)=O)O[Ti]23( OC1=O)(OC(=O)C(CC(O)=O)(CC(O)=O)O2)OC(=O )C(CC(O)=O)(CC(O)=O)O3 |
2-[3,8,8,12,12-pentakis(2-hydroxy-2-oxoethyl)-2,7,11-tris(oxidanylidene)-1,4,6,9,10,13-hexaoxa-5$l^{6}-titanaspiro[4.4^{5}.4^{5}]tridecan-3-yl]ethanoic acid |
| 43939 | UW9 CHEMBL2078801 ZINC000084689110 |
1 | C24 H30 N6 O | InChI=1S/C24H30N6O/c1-6-3 1-19-10-9-16-11-18(8-7-17 (16)12-19)22-21-23(25)26- 14-27-24(21)30(28-22)13-2 0(15(2)3)29(4)5/h7-12,14- 15,20H,6,13H2,1-5H3,(H2,2 5,26,27)/t20-/m1/s1; UPGKXNICLSVZDA-HXUWFJFHSA-N |
CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)CC(C( C)C)N(C)C)N; CCOc1ccc2cc(ccc2c1)c3nn(C[C @H](C(C)C)N(C)C)c4ncnc(N)c34; CCOc1ccc2c c(ccc2c1)c3nn(C[CH](C(C)C)N(C)C)c4ncnc(N )c34; n1c(c2c(nc1)n(nc2c4cc3ccc(OCC)cc3c c4)CC(N(C)C)C(C)C)N; CCOc1ccc2cc(ccc2c1) c3c4c(ncnc4n(n3)C[C@H](C(C)C)N(C)C)N |
1-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(6-ethoxynaphthalen-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| 43940 | UWA CHEMBL5873495 ZINC000212415121 |
1 | C21 H23 N5 O | InChI=1S/C21H23N5O/c1-4-2 7-17-8-7-14-5-6-15(9-16(1 4)10-17)19-18-20(22)23-12 -24-21(18)26(25-19)11-13( 2)3/h5-10,12-13H,4,11H2,1 -3H3,(H2,22,23,24); AEVLTZJWDLNUCI-UHFFFAOYSA-N |
CCOc1ccc2ccc(cc2c1)c3nn(CC(C)C)c4ncnc(N) c34; n1c(c2c(nc1)n(nc2c4cc3cc(OCC)ccc3cc 4)CC(C)C)N; CCOc1ccc2ccc(cc2c1)c3c4c(ncn c4n(n3)CC(C)C)N |
3-(7-ethoxynaphthalen-2-yl)-1-(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| 43941 | UWB CHEMBL5961028 ZINC000212415225 |
1 | C23 H26 N6 O | InChI=1S/C23H26N6O/c1-2-3 0-19-6-5-16-3-4-17(11-18( 16)12-19)21-20-22(24)26-1 4-27-23(20)29(28-21)13-15 -7-9-25-10-8-15/h3-6,11-1 2,14-15,25H,2,7-10,13H2,1 H3,(H2,24,26,27); KMHCRQINFJTBPW-UHFFFAOYSA-N |
CCOc1ccc2ccc(cc2c1)c3c4c(ncnc4n(n3)CC5CC NCC5)N; CCOc1ccc2ccc(cc2c1)c3nn(CC4CCNCC 4)c5ncnc(N)c35; n1c(c2c(nc1)n(nc2c4cc3cc (OCC)ccc3cc4)CC5CCNCC5)N |
3-(7-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| 43942 | UWC CHEMBL5414714 |
1 | C27 H32 N8 O5 | InChI=1S/C27H32N8O5/c1-3- 34-23-22(25(37)32-27(34)3 9)35(21(31-23)12-18-15-33 -10-5-4-9-20(33)30-18)14- 16-7-6-8-17(11-16)24(36)2 9-13-19(28)26(38)40-2/h6- 8,11,15,19H,3-5,9-10,12-1 4,28H2,1-2H3,(H,29,36)(H, 32,37,39)/t19-/m0/s1; OQKHEXPFNSCIHH-IBGZPJMESA-N |
CCN1C(=O)NC(=O)c2n(Cc3cccc(c3)C(=O)NC[C@ H](N)C(=O)OC)c(Cc4cn5CCCCc5n4)nc12; CCN1 c2c(n(c(n2)Cc3cn4c(n3)CCCC4)Cc5cccc(c5)C (=O)NCC(C(=O)OC)N)C(=O)NC1=O; CCN1C(=O)N C(=O)c2n(Cc3cccc(c3)C(=O)NC[CH](N)C(=O)O C)c(Cc4cn5CCCCc5n4)nc12; CCN1c2c(n(c(n2) Cc3cn4c(n3)CCCC4)Cc5cccc(c5)C(=O)NC[C@@H ](C(=O)OC)N)C(=O)NC1=O |
methyl (2~{S})-2-azanyl-3-[[3-[[3-ethyl-2,6-bis(oxidanylidene)-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purin-7-yl]methyl]phenyl]carbonylamino]propanoate |
| 43943 | UWD ZINC000019507445 |
4 | C8 H10 N4 | InChI=1S/C8H10N4/c1-9-6-8 -11-10-7-4-2-3-5-12(7)8/h 2-5,9H,6H2,1H3; UQXCTICEXNDHAR-UHFFFAOYSA-N |
CNCc1nnc2ccccn12; CNCc1nnc2n1cccc2; n2c( n1ccccc1n2)CNC |
N-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine |
| 43944 | UWE | 2 | C Ni O | InChI=1S/CO.Ni/c1-2;/q+1;; IBXNIJKRMDYAOR-UHFFFAOYSA-N |
[Ni]C#[O+]; C(#[O+])[Ni] | $l^{3}-oxidanylidynemethylnickel |
| 43945 | UWF | 1 | C26 H33 N11 O7 | InChI=1S/C26H33N11O7/c1-1 1(2)35(6-12-17(39)19(41)2 5(43-12)36-10-33-15-21(27 )29-8-31-23(15)36)5-3-4-1 4-34-16-22(28)30-9-32-24( 16)37(14)26-20(42)18(40)1 3(7-38)44-26/h8-13,17-20, 25-26,38-42H,5-7H2,1-2H3, (H2,27,29,31)(H2,28,30,32 )/t12-,13-,17-,18-,19-,20 -,25-,26-/m1/s1; PGOOPWAYVMFHRB-DQSURDJZSA-N |
CC(C)N(CC#Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C @@H]([C@H](O3)CO)O)O)N)C[C@@H]4[C@H]([C@ H]([C@@H](O4)n5cnc6c5ncnc6N)O)O; CC(C)N( CC#Cc1nc2c(ncnc2n1C3C(C(C(O3)CO)O)O)N)CC 4C(C(C(O4)n5cnc6c5ncnc6N)O)O; CC(C)N(CC# Cc1nc2c(N)ncnc2n1[CH]3O[CH](CO)[CH](O)[C H]3O)C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N )ncnc56; CC(C)N(CC#Cc1nc2c(N)ncnc2n1[C@@ H]3O[C@H](CO)[C@@H](O)[C@H]3O)C[C@H]4O[C @H]([C@H](O)[C@@H]4O)n5cnc6c(N)ncnc56 |
(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl-propan-2-yl-amino]methyl]oxolane-3,4-diol |
| 43946 | UWG ZINC000054724265 |
1 | C10 H16 N2 O | InChI=1S/C10H16N2O/c1-8(1 3)9-6-11-12(7-9)10-4-2-3- 5-10/h6-8,10,13H,2-5H2,1H 3/t8-/m0/s1; TUZCKTQECDPISK-QMMMGPOBSA-N |
C[C@H](O)c1cnn(c1)C2CCCC2; CC(c1cnn(c1)C 2CCCC2)O; C[C@@H](c1cnn(c1)C2CCCC2)O; C[ CH](O)c1cnn(c1)C2CCCC2; n1(cc(C(C)O)cn1) C2CCCC2 |
(1S)-1-(1-cyclopentyl-1H-pyrazol-4-yl)ethan-1-ol |
| 43947 | UWH | 1 | C14 H20 N2 O4 S | InChI=1S/C14H20N2O4S/c1-2 0-11-10-15-6-8-16(9-7-15) 21(18,19)14-4-2-13(12-17) 3-5-14/h2-5,12H,6-11H2,1H 3; BLJXFQSWMIPUOV-UHFFFAOYSA-N |
COCCN1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O; CO CCN1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2 |
4-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylbenzaldehyde |
| 43948 | UWI ZINC000012471322 |
1 | C6 H11 N O2 | InChI=1S/C6H11NO2/c7-6(8) 5-1-3-9-4-2-5/h5H,1-4H2,( H2,7,8); DGOYLVBDCVINQZ-UHFFFAOYSA-N |
NC(=O)C1CCOCC1; C1COCCC1C(=O)N | oxane-4-carboxamide |
| 43949 | UWJ | 0 | C11 H17 N2 O8 P Se | InChI=1S/C11H17N2O8PSe/c1 -5-3-13(11(16)12-9(5)15)1 0-8(23-2)7(14)6(21-10)4-2 0-22(17,18)19/h3,6-8,10,1 4H,4H2,1-2H3,(H,12,15,16) (H2,17,18,19)/t6-,7-,8+,1 0-/m1/s1; KLYIIOBIPBBIGV-BDNRQGISSA-N |
C1(NC(C(=CN1C2OC(COP(=O)(O)O)C(O)C2[Se]C )C)=O)=O; CC1=CN(C(=O)NC1=O)C2C(C(C(O2)C OP(=O)(O)O)O)[Se]C; C[Se][CH]1[CH](O)[CH ](CO[P](O)(O)=O)O[CH]1N2C=C(C)C(=O)NC2=O ; C[Se][C@H]1[C@H](O)[C@@H](CO[P](O)(O)= O)O[C@H]1N2C=C(C)C(=O)NC2=O; CC1=CN(C(=O )NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(= O)(O)O)O)[Se]C |
5-methyl-1-(2-Se-methyl-5-O-phosphono-2-seleno-beta-D-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione |
| 43950 | UWK | 1 | C13 H17 N O4 S | InChI=1S/C13H17NO4S/c1-18 -12-3-2-8-14(9-12)19(16,1 7)13-6-4-11(10-15)5-7-13/ h4-7,10,12H,2-3,8-9H2,1H3 /t12-/m1/s1; LBMUPTIJLJCKCH-GFCCVEGCSA-N |
CO[C@@H]1CCCN(C1)[S](=O)(=O)c2ccc(C=O)cc 2; CO[C@@H]1CCCN(C1)S(=O)(=O)c2ccc(cc2)C =O; CO[CH]1CCCN(C1)[S](=O)(=O)c2ccc(C=O) cc2; COC1CCCN(C1)S(=O)(=O)c2ccc(cc2)C=O |
4-[(3~{R})-3-methoxypiperidin-1-yl]sulfonylbenzaldehyde |
| 43951 | UWL | 1 | C26 H28 Cl F N4 O2 | InChI=1S/C26H28ClFN4O2/c1 -3-20-22(10-7-16(2)29-20) 34-15-24(33)32-13-11-21-2 6(31-12-5-4-6-23(31)30-21 )25(32)18-9-8-17(27)14-19 (18)28/h7-10,14,25H,3-6,1 1-13,15H2,1-2H3/t25-/m0/s 1; DWIGWIZFMAXRAR-VWLOTQADSA-N |
CCc1nc(C)ccc1OCC(=O)N2CCc3nc4CCCCn4c3[C@ @H]2c5ccc(Cl)cc5F; CCc1c(ccc(n1)C)OCC(=O )N2CCc3c(n4c(n3)CCCC4)C2c5ccc(cc5F)Cl; C Cc1c(ccc(n1)C)OCC(=O)N2CCc3c(n4c(n3)CCCC 4)[C@@H]2c5ccc(cc5F)Cl; CCc1nc(C)ccc1OCC (=O)N2CCc3nc4CCCCn4c3[CH]2c5ccc(Cl)cc5F |
1-[(3~{S})-3-(4-chloranyl-2-fluoranyl-phenyl)-1,4,8-triazatricyclo[7.4.0.0^{2,7}]trideca-2(7),8-dien-4-yl]-2-(2-ethyl-6-methyl-pyridin-3-yl)oxy-ethanone |
| 43952 | UWM CHEMBL4459585 DB18709 |
1 | C20 H17 N9 | InChI=1S/C20H17N9/c1-27-1 1-15(9-24-27)17-13-28-18( 2-5-23-28)19(26-17)16-10- 25-29(12-16)20(3-4-21)6-1 4(7-20)8-22/h2,5,9-14H,3, 6-7H2,1H3/t14-,20-; XPLZTJWZDBFWDE-OYOVHJISSA-N |
Cn1cc(cn1)c2cn3nccc3c(n2)c4cnn(c4)[C]5(C C#N)C[CH](C5)C#N; Cn1cc(cn1)c2cn3nccc3c( n2)c4cnn(c4)[C@@]5(CC#N)C[C@@H](C5)C#N; Cn1cc(cn1)c2cn3c(ccn3)c(n2)c4cnn(c4)C5(C C(C5)C#N)CC#N; n1c(cn4c(c1c2cnn(c2)C3(CC #N)CC(C#N)C3)ccn4)c5cn(nc5)C |
trans-3-(cyanomethyl)-3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}cyclobutane-1-carbonitrile |
| 43953 | UWN CHEMBL2426364 ZINC000083253967 |
5 | C32 H43 N5 O2 | InChI=1S/C32H43N5O2/c38-3 1(36-20-12-27(13-21-36)34 -16-4-5-17-34)25-10-11-29 (30(24-25)33-26-8-2-1-3-9 -26)32(39)37-22-14-28(15- 23-37)35-18-6-7-19-35/h1- 3,8-11,24,27-28,33H,4-7,1 2-23H2; PQOOIERVZAXHBP-UHFFFAOYSA-N |
O=C(N1CCC(CC1)N2CCCC2)c3ccc(C(=O)N4CC[CH ](CC4)N5CCCC5)c(Nc6ccccc6)c3; O=C(N1CCC( CC1)N2CCCC2)c3ccc(C(=O)N4CC[C@H](CC4)N5C CCC5)c(Nc6ccccc6)c3; O=C(N2CCC(N1CCCC1)C C2)c4ccc(c(Nc3ccccc3)c4)C(=O)N6CCC(N5CCC C5)CC6; c1ccc(cc1)Nc2cc(ccc2C(=O)N3CCC(C C3)N4CCCC4)C(=O)N5CCC(CC5)N6CCCC6 |
[2-(phenylamino)benzene-1,4-diyl]bis{[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone} |
| 43954 | UWO | 1 | C24 H21 F3 N2 O4 | InChI=1S/C24H21F3N2O4/c1- 13(30)29-19-11-8-15(23(32 )33-2)12-18(19)28-17-4-3- 5-20(31)21(17)22(29)14-6- 9-16(10-7-14)24(25,26)27/ h6-12,22,28H,3-5H2,1-2H3/ t22-/m1/s1; JYNGJASZTLERPY-JOCHJYFZSA-N |
CC(=O)N1c2ccc(cc2NC3=C([C@H]1c4ccc(cc4)C (F)(F)F)C(=O)CCC3)C(=O)OC; CC(=O)N1c2ccc (cc2NC3=C(C1c4ccc(cc4)C(F)(F)F)C(=O)CCC3 )C(=O)OC; COC(=O)c1ccc2N([CH](c3ccc(cc3) C(F)(F)F)C4=C(CCCC4=O)Nc2c1)C(C)=O; COC( =O)c1ccc2N([C@H](c3ccc(cc3)C(F)(F)F)C4=C (CCCC4=O)Nc2c1)C(C)=O |
methyl (6~{R})-5-ethanoyl-7-oxidanylidene-6-[4-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-6~{H}-benzo[b][1,4]benzodiazepine-2-carboxylate |
| 43955 | UWP CHEMBL4778704 |
4 | C20 H18 F3 N9 | InChI=1S/C20H18F3N9/c1-29 -8-14(6-26-29)16-10-31-17 (2-5-25-31)18(28-16)15-7- 27-32(9-15)19(3-4-24)11-3 0(12-19)13-20(21,22)23/h2 ,5-10H,3,11-13H2,1H3; CVWIGSVNTPFWIS-UHFFFAOYSA-N |
Cn1cc(cn1)c2cn3nccc3c(n2)c4cnn(c4)C5(CC# N)CN(CC(F)(F)F)C5; n15c(c(nc(c1)c2cnn(C) c2)c3cn(nc3)C4(CN(C4)CC(F)(F)F)CC#N)ccn5 ; Cn1cc(cn1)c2cn3c(ccn3)c(n2)c4cnn(c4)C5 (CN(C5)CC(F)(F)F)CC#N |
[3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile |
| 43956 | UWQ | 1 | C13 H17 N O4 S | InChI=1S/C13H17NO4S/c1-18 -12-6-8-14(9-7-12)19(16,1 7)13-4-2-11(10-15)3-5-13/ h2-5,10,12H,6-9H2,1H3; UXSLYFUIGKMHEK-UHFFFAOYSA-N |
COC1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2; CO C1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O |
4-(4-methoxypiperidin-1-yl)sulfonylbenzaldehyde |
| 43957 | UWR ZINC000020173836 |
2 | C8 H7 Cl N2 | InChI=1S/C8H7ClN2/c9-7-3- 1-2-6(4-7)8(11)5-10/h1-4, 8H,11H2/t8-/m0/s1; MHUPYXJSGAMNFY-QMMMGPOBSA-N |
c1cc(cc(c1)Cl)[C@H](C#N)N; NC(C#N)c1cc(C l)ccc1; c1cc(cc(c1)Cl)C(C#N)N; N[CH](C#N )c1cccc(Cl)c1; N[C@@H](C#N)c1cccc(Cl)c1 |
(2R)-amino(3-chlorophenyl)acetonitrile |
| 43958 | UWS ZINC000067747599 |
9 | C10 H11 N3 O2 | InChI=1S/C10H11N3O2/c1-7- 3-4-10(14)13(11-7)6-9-5-8 (2)12-15-9/h3-5H,6H2,1-2H 3; PLCLGFAKZPXQFY-UHFFFAOYSA-N |
Cc1cc(on1)CN2C(=O)C=CC(=N2)C; CC1=NN(Cc2 onc(C)c2)C(=O)C=C1; N=2N(Cc1cc(C)no1)C(C =CC=2C)=O |
6-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridazin-3(2H)-one |
| 43959 | UWT ZINC000080360618 |
1 | C9 H20 O4 | InChI=1S/C9H20O4/c1-7(11) 5-12-9(3)6-13-8(2)4-10/h7 -11H,4-6H2,1-3H3/t7-,8+,9 -/m0/s1; LCZVSXRMYJUNFX-YIZRAAEISA-N |
C[CH](O)CO[CH](C)CO[CH](C)CO; CC(CO)OCC( C)OCC(C)O; C[C@H](O)CO[C@@H](C)CO[C@H](C )CO; C[C@H](CO)OC[C@H](C)OC[C@H](C)O |
(2R)-2-[(2S)-2-[(2S)-2-oxidanylpropoxy]propoxy]propan-1-ol; (2~{R})-2-[(2~{S})-2-[(2~{S})-2-oxidanylpropoxy]propoxy]propan-1-ol |
| 43960 | UWU ZINC000000146729 |
2 | C15 H9 Cl O3 | InChI=1S/C15H9ClO3/c16-12 -6-11-10(9-4-2-1-3-5-9)7- 15(18)19-14(11)8-13(12)17 /h1-8,17H; TUQNFQUMZKUALD-UHFFFAOYSA-N |
c1ccc(cc1)C2=CC(=O)Oc3c2cc(c(c3)O)Cl; Oc 1cc2OC(=O)C=C(c3ccccc3)c2cc1Cl; Clc2c(O) cc1OC(=O)C=C(c1c2)c3ccccc3 |
6-chloranyl-7-oxidanyl-4-phenyl-chromen-2-one |
| 43961 | UWV ZINC000020350772 |
5 | C10 H10 F N3 | InChI=1S/C10H10FN3/c11-9- 3-1-2-4-10(9)12-7-8-5-6-1 3-14-8/h1-6,12H,7H2,(H,13 ,14); IREDHAFKGFKXRR-UHFFFAOYSA-N |
n2nc(CNc1ccccc1F)cc2; c1ccc(c(c1)NCc2cc[ nH]n2)F; Fc1ccccc1NCc2cc[nH]n2 |
2-fluoro-N-[(1H-pyrazol-3-yl)methyl]aniline |
| 43962 | UWX CHEMBL1360726 ZINC000008604825 |
2 | C24 H30 N4 O5 S | InChI=1S/C24H30N4O5S/c1-1 6(2)13-17-5-7-18(8-6-17)3 4(31,32)25-19-14-21-22(27 (4)24(30)23(29)26(21)3)15 -20(19)28-9-11-33-12-10-2 8/h5-8,14-16,25H,9-13H2,1 -4H3; ITKWKFDZJCBVEW-UHFFFAOYSA-N |
CC(C)Cc1ccc(cc1)S(=O)(=O)Nc2cc3c(cc2N4CC OCC4)N(C(=O)C(=O)N3C)C; CC(C)Cc1ccc(cc1) [S](=O)(=O)Nc2cc3N(C)C(=O)C(=O)N(C)c3cc2 N4CCOCC4 |
~{N}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-4-(2-methylpropyl)benzenesulfonamide |
| 43963 | UWY ZINC000058393643 |
2 | C11 H17 N3 O | InChI=1S/C11H17N3O/c1-2-1 4-8-10(7-12-14)13-11(15)9 -5-3-4-6-9/h7-9H,2-6H2,1H 3,(H,13,15); GXDSBWMCMQHCOL-UHFFFAOYSA-N |
CCn1cc(cn1)NC(=O)C2CCCC2; N(c1cnn(c1)CC) C(=O)C2CCCC2; CCn1cc(NC(=O)C2CCCC2)cn1 |
N-(1-ethyl-1H-pyrazol-4-yl)cyclopentanecarboxamide |
| 43964 | UWZ CHEMBL4779479 |
1 | C20 H23 F2 N5 O4 | InChI=1S/C20H23F2N5O4/c1- 23-16(28)12-27(11-13-6-2- 3-7-15(13)31-20(21)22)18( 29)14-10-24-17(25-14)19(3 0)26-8-4-5-9-26/h2-3,6-7, 10,20H,4-5,8-9,11-12H2,1H 3,(H,23,28)(H,24,25); UHBFOFSFPSKTRS-UHFFFAOYSA-N |
CNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c2c[nH]c( n2)C(=O)N3CCCC3 |
~{N}-[[2-[bis(fluoranyl)methoxy]phenyl]methyl]-~{N}-[2-(methylamino)-2-oxidanylidene-ethyl]-2-pyrrolidin-1-ylcarbonyl-1~{H}-imidazole-4-carboxamide |
| 43965 | UX0 ZINC000584905715 |
1 | C15 H19 N3 O4 | InChI=1S/C15H19N3O4/c1-22 -11-4-2-3-9-12(11)15(17-7 -16-9)18-10-5-8(6-19)13(2 0)14(10)21/h2-4,7-8,10,13 -14,19-21H,5-6H2,1H3,(H,1 6,17,18)/t8-,10-,13-,14+/ m1/s1; VWYRWNYOVVVFRV-NKBRHBOISA-N |
COc1cccc2c1c(ncn2)NC3CC(C(C3O)O)CO; COc1 cccc2ncnc(N[CH]3C[CH](CO)[CH](O)[CH]3O)c 12; COc1cccc2ncnc(N[C@@H]3C[C@H](CO)[C@@ H](O)[C@H]3O)c12; COc1cccc2c1c(ncn2)N[C@ @H]3C[C@@H]([C@H]([C@H]3O)O)CO |
(1S,2R,3R,5R)-3-(HYDROXYMETHYL)-5-((5-METHOXYQUINAZOLIN-4-YL)AMINO)CYCLOPENTANE-1,2-DIOL |
| 43966 | UX1 ZINC000335883577 |
3 | C12 H14 F N O | InChI=1S/C12H14FNO/c1-14- 11(15)12(6-7-12)8-9-4-2-3 -5-10(9)13/h2-5H,6-8H2,1H 3,(H,14,15); KIJYNTMPXZUXEI-UHFFFAOYSA-N |
CNC(=O)C1(CC1)Cc2ccccc2F; c1(c(cccc1)F)C C2(CC2)C(NC)=O |
1-[(2-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide |
| 43967 | UX2 CHEMBL16687 ZINC000003872013 |
4 | C13 H8 Cl N5 O | InChI=1S/C13H8ClN5O/c14-7 -3-4-9-8(6-7)12-17-11(10- 2-1-5-20-10)18-19(12)13(1 5)16-9/h1-6H,(H2,15,16); MSJODEOZODDVGW-UHFFFAOYSA-N |
Nc1nc2ccc(Cl)cc2c3nc(nn13)c4occc4; c1cc( oc1)c2nc3c4cc(ccc4nc(n3n2)N)Cl |
9-chloranyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine |
| 43968 | UX3 CHEMBL5398162 |
1 | C28 H28 N6 O2 | InChI=1S/C28H28N6O2/c1-2- 33-26-25(27(35)31-28(33)3 6)34(17-19-11-13-21(14-12 -19)20-8-4-3-5-9-20)24(30 -26)16-22-18-32-15-7-6-10 -23(32)29-22/h3-5,8-9,11- 14,18H,2,6-7,10,15-17H2,1 H3,(H,31,35,36); ADTIQGKCZQHSQW-UHFFFAOYSA-N |
CCN1c2c(n(c(n2)Cc3cn4c(n3)CCCC4)Cc5ccc(c c5)c6ccccc6)C(=O)NC1=O; CCN1C(=O)NC(=O)c 2n(Cc3ccc(cc3)c4ccccc4)c(Cc5cn6CCCCc6n5) nc12 |
3-ethyl-7-[(4-phenylphenyl)methyl]-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione |
| 43969 | UX4 ZINC000004111000 |
3 | C21 H29 N5 O4 S | InChI=1S/C21H29N5O4S/c1-4 -30-21(29)25-11-9-24(10-1 2-25)20(28)23-17-14(3)16- 18(31-17)22-15-6-5-13(2)7 -8-26(15)19(16)27/h13H,4- 12H2,1-3H3,(H,23,28)/t13- /m1/s1; XBHQVTSPEFNYKC-CYBMUJFWSA-N |
O=C(OCC)N1CCN(CC1)C(=O)Nc2sc3c(c2C)C(N4C (=N3)CCC(C)CC4)=O; CCOC(=O)N1CCN(CC1)C(= O)Nc2c(c3c(s2)N=C4CC[C@H](CCN4C3=O)C)C; CCOC(=O)N1CCN(CC1)C(=O)Nc2sc3N=C4CC[C@@H ](C)CCN4C(=O)c3c2C; CCOC(=O)N1CCN(CC1)C( =O)Nc2c(c3c(s2)N=C4CCC(CCN4C3=O)C)C; CCO C(=O)N1CCN(CC1)C(=O)Nc2sc3N=C4CC[CH](C)C CN4C(=O)c3c2C |
ethyl 4-[(8R)-3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl]carbamoylpiperazine-1-carboxylate |
| 43970 | UX5 | 1 | C15 H15 N5 O2 | InChI=1S/C15H15N5O2/c1-9- 12(8-17-13-6-14(21)19-20( 9)13)15(22)18-7-10-2-4-11 (16)5-3-10/h2-6,8H,7,16H2 ,1H3,(H,18,22)(H,19,21); KOARMAYNUOYQCO-UHFFFAOYSA-N |
CC1=C(C=NC2=CC(=O)NN12)C(=O)NCc3ccc(cc3) N; CC1=C(C=NC2=CC(=O)NN12)C(=O)NCc3ccc(N )cc3 |
N-(4-aminophenyl)-7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide; ~{N}-[(4-aminophenyl)methyl]-7-methyl-2-oxidanylidene-1,6-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide |
| 43971 | UX6 | 1 | C28 H36 N14 O8 | InChI=1S/C28H36N14O8/c29- 22-16-24(37-9-35-22)41(11 -39-16)26-20(46)19(45)13( 50-26)8-48-6-2-3-14-40-17 -23(30)36-10-38-25(17)42( 14)27-21(47)18(44)12(49-2 7)7-34-15(43)4-1-5-33-28( 31)32/h9-13,18-21,26-27,4 4-47H,1,4-8H2,(H,34,43)(H 2,29,35,37)(H2,30,36,38)( H4,31,32,33)/t12-,13+,18- ,19-,20-,21-,26+,27+/m1/s 1; NNSXKLBHRBBEJB-IVGSDTCASA-N |
NC(=N)NCCCC(=O)NC[CH]1O[CH]([CH](O)[CH]1 O)n2c(nc3c(N)ncnc23)C#CCOC[CH]4O[CH]([CH ](O)[CH]4O)n5cnc6c(N)ncnc56; NC(=N)NCCCC (=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2c( nc3c(N)ncnc23)C#CCOC[C@H]4O[C@H]([C@H](O )[C@@H]4O)n5cnc6c(N)ncnc56; c1nc(c2c(n1) n(cn2)C3C(C(C(O3)COCC#Cc4nc5c(ncnc5n4C6C (C(C(O6)CNC(=O)CCCNC(=N)N)O)O)N)O)O)N; c 1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@ H](O3)COCC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([ C@@H]([C@H](O6)CNC(=O)CCCNC(=N)N)O)O)N)O )O)N |
~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-4-carbamimidamido-butanamide |
| 43972 | UX7 CHEMBL4459388 ZINC000000419826 |
1 | C12 H12 N2 O2 S | InChI=1S/C12H12N2O2S/c1-1 6-8-4-5-9-10(6-8)17-12(13 -9)14-11(15)7-2-3-7/h4-7H ,2-3H2,1H3,(H,13,14,15); TYZQOTDNVBPGAW-UHFFFAOYSA-N |
N(C(=O)C1CC1)c2sc3c(n2)ccc(OC)c3; COc1cc c2nc(NC(=O)C3CC3)sc2c1; COc1ccc2c(c1)sc( n2)NC(=O)C3CC3 |
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide |
| 43973 | UX8 | 0 | C11 H12 N2 O3 | InChI=1S/C11H12N2O3/c12-9 (11(15)16)10(14)7-5-13-8- 4-2-1-3-6(7)8/h1-5,9-10,1 3-14H,12H2,(H,15,16)/t9-, 10+/m0/s1; ITFHGBKXKUVKBW-VHSXEESVSA-N |
c1ccc2c(c1)c(c[nH]2)[C@H]([C@@H](C(=O)O) N)O; N[CH]([CH](O)c1c[nH]c2ccccc12)C(O)= O; c1ccc2c(c1)c(c[nH]2)C(C(C(=O)O)N)O; N [C@@H]([C@H](O)c1c[nH]c2ccccc12)C(O)=O |
(2~{S},3~{R})-2-azanyl-3-(1~{H}-indol-3-yl)-3-oxidanyl-propanoic acid |
| 43974 | UX9 CHEMBL2030954 ZINC000084652260 |
2 | C42 H49 N5 O6 | InChI=1S/C42H49N5O6/c1-41 (2,3)37(44-40(52)53-4)38( 50)45-46(26-29-14-16-30(1 7-15-29)31-18-21-43-22-19 -31)23-20-42(25-28-10-6-5 -7-11-28)35(49)27-47(39(4 2)51)36-33-13-9-8-12-32(3 3)24-34(36)48/h5-19,21-22 ,34-37,48-49H,20,23-27H2, 1-4H3,(H,44,52)(H,45,50)/ t34-,35-,36+,37-,42+/m1/s 1; UUCOHTKAVQHJKS-IQEGRXIQSA-N |
CC(C)(C)[C@@H](C(=O)NN(CC[C@@]1([C@@H](C N(C1=O)[C@H]2c3ccccc3C[C@H]2O)O)Cc4ccccc 4)Cc5ccc(cc5)c6ccncc6)NC(=O)OC; COC(=O)N [CH](C(=O)NN(CC[C]1(Cc2ccccc2)[CH](O)CN( [CH]3[CH](O)Cc4ccccc34)C1=O)Cc5ccc(cc5)c 6ccncc6)C(C)(C)C; CC(C)(C)C(C(=O)NN(CCC1 (C(CN(C1=O)C2c3ccccc3CC2O)O)Cc4ccccc4)Cc 5ccc(cc5)c6ccncc6)NC(=O)OC; COC(=O)N[C@H ](C(=O)NN(CC[C@]1(Cc2ccccc2)[C@H](O)CN([ C@@H]3[C@H](O)Cc4ccccc34)C1=O)Cc5ccc(cc5 )c6ccncc6)C(C)(C)C; O=C(OC)NC(C(=O)NN(Cc 2ccc(c1ccncc1)cc2)CCC5(C(=O)N(C4c3c(cccc 3)CC4O)CC5O)Cc6ccccc6)C(C)(C)C |
methyl [(2S)-1-{2-(2-{(3R,4S)-3-benzyl-4-hydroxy-1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxopyrrolidin-3-yl}ethyl)-2-[4-(pyridin-4-yl)benzyl]hydrazinyl}-3,3-dimethyl-1-oxobutan-2-yl]carbamate |
| 43975 | UXA ZINC000002737565 |
7 | C11 H11 N O3 | InChI=1S/C11H11NO3/c13-11 (12-8-2-3-8)7-1-4-9-10(5- 7)15-6-14-9/h1,4-5,8H,2-3 ,6H2,(H,12,13); OUGQMSXIPFSZBI-UHFFFAOYSA-N |
c1cc2c(cc1C(=O)NC3CC3)OCO2; c1(cc2c(cc1) OCO2)C(NC3CC3)=O; O=C(NC1CC1)c2ccc3OCOc3 c2 |
~{N}-cyclopropyl-1,3-benzodioxole-5-carboxamide |
| 43976 | UXB ZINC000004089510 |
1 | C9 H12 Cl N O | InChI=1S/C9H12ClNO/c10-8- 3-1-2-7(6-8)9(11)4-5-12/h 1-3,6,9,12H,4-5,11H2/t9-/ m0/s1; YQMOQQKIRFWPQL-VIFPVBQESA-N |
N[C@@H](CCO)c1cccc(Cl)c1; NC(CCO)c1cc(Cl )ccc1; N[CH](CCO)c1cccc(Cl)c1; c1cc(cc(c 1)Cl)[C@H](CCO)N; c1cc(cc(c1)Cl)C(CCO)N |
(3S)-3-amino-3-(3-chlorophenyl)propan-1-ol |
| 43977 | UXC CHEMBL5404510 |
1 | C18 H20 N6 O3 S | InChI=1S/C18H20N6O3S/c1-3 -23-15-14(16(25)21-17(23) 26)24(6-11-8-27-9-11)13(2 0-15)4-12-7-22-5-10(2)28- 18(22)19-12/h5,7,11H,3-4, 6,8-9H2,1-2H3,(H,21,25,26 ); FJDRFUYWOVFIPP-UHFFFAOYSA-N |
CCN1c2c(n(c(n2)Cc3cn4cc(sc4n3)C)CC5COC5) C(=O)NC1=O; CCN1C(=O)NC(=O)c2n(CC3COC3)c (Cc4cn5cc(C)sc5n4)nc12 |
3-ethyl-8-[(2-methyl-5~{H}-imidazo[2,1-b][1,3]thiazol-6-yl)methyl]-7-(oxetan-3-ylmethyl)purine-2,6-dione |
| 43978 | UXD ZINC000036164724 |
3 | C8 H11 N3 O | InChI=1S/C8H11N3O/c12-8(7 -5-9-10-6-7)11-3-1-2-4-11 /h5-6H,1-4H2,(H,9,10); ZCTYYKNBCKBIMR-UHFFFAOYSA-N |
O=C(N1CCCC1)c2c[nH]nc2; n1cc(cn1)C(N2CCC C2)=O; c1c(cn[nH]1)C(=O)N2CCCC2 |
(1H-pyrazol-4-yl)(pyrrolidin-1-yl)methanone |
| 43979 | UXE CHEMBL5091512 |
1 | C30 H41 N7 O | InChI=1S/C30H41N7O/c1-29( 2)10-14-36(15-11-29)21-26 -9-8-25(20-31-26)33-22-30 (38)12-16-37(17-13-30)28- 18-27(34-23-35-28)32-19-2 4-6-4-3-5-7-24/h3-9,18,20 ,23,33,38H,10-17,19,21-22 H2,1-2H3,(H,32,34,35); GTLDMCHZRAFXCB-UHFFFAOYSA-N |
CC1(CCN(CC1)Cc2ccc(cn2)NCC3(CCN(CC3)c4cc (ncn4)NCc5ccccc5)O)C; CC1(C)CCN(CC1)Cc2c cc(NCC3(O)CCN(CC3)c4cc(NCc5ccccc5)ncn4)c n2 |
4-[[[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]amino]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-4-ol |
| 43980 | UXG CHEMBL3763552 ZINC000000133425 |
11 | C16 H17 N O | InChI=1S/C16H17NO/c18-15- 11-17(12-15)16(13-7-3-1-4 -8-13)14-9-5-2-6-10-14/h1 -10,15-16,18H,11-12H2; MMAJXKGUZYDTHV-UHFFFAOYSA-N |
c1(ccccc1)C(c2ccccc2)N3CC(C3)O; c1ccc(cc 1)C(c2ccccc2)N3CC(C3)O; OC1CN(C1)C(c2ccc cc2)c3ccccc3 |
1-(diphenylmethyl)azetidin-3-ol |
| 43981 | UXH CHEMBL1945406 ZINC000082151302 |
4 | C12 H10 Cl N5 O2 | InChI=1S/C12H10ClN5O2/c1- 18-10-5-3(12(18)20)2-4(11 (16)19)17-9(5)7(14)6(13)8 (10)15/h2H,14-15H2,1H3,(H 2,16,19); HWRGTOQGZGTNID-UHFFFAOYSA-N |
Clc3c(c1nc(cc2C(=O)N(c(c12)c3N)C)C(=O)N) N; CN1c2c3c(cc(nc3c(c(c2N)Cl)N)C(=O)N)C1 =O; CN1C(=O)c2cc(nc3c(N)c(Cl)c(N)c1c23)C (N)=O |
6,8-diamino-7-chloro-1-methyl-2-oxo-1,2-dihydropyrrolo[4,3,2-de]quinoline-4-carboxamide |
| 43982 | UXJ ZINC000036901516 |
2 | C11 H12 F N3 | InChI=1S/C11H12FN3/c1-8-9 (7-14-15-8)6-13-11-5-3-2- 4-10(11)12/h2-5,7,13H,6H2 ,1H3,(H,14,15); PPJRDGIYQROBCH-UHFFFAOYSA-N |
Cc1n[nH]cc1CNc2ccccc2F; Cc1c(c[nH]n1)CNc 2ccccc2F; n2cc(CNc1ccccc1F)c(n2)C |
2-fluoro-N-[(3-methyl-1H-pyrazol-4-yl)methyl]aniline |
| 43983 | UXK CHEMBL5077723 |
1 | C32 H43 N7 O | InChI=1S/C32H43N7O/c1-31( 2)10-14-37(15-11-31)23-27 -8-9-28(22-33-27)39-18-19 -40-32(24-39)12-16-38(17- 13-32)30-20-29(35-25-36-3 0)34-21-26-6-4-3-5-7-26/h 3-9,20,22,25H,10-19,21,23 -24H2,1-2H3,(H,34,35,36); RJEWLHZZXYDBNT-UHFFFAOYSA-N |
CC1(CCN(CC1)Cc2ccc(cn2)N3CCOC4(C3)CCN(CC 4)c5cc(ncn5)NCc6ccccc6)C; CC1(C)CCN(CC1) Cc2ccc(cn2)N3CCOC4(CCN(CC4)c5cc(NCc6cccc c6)ncn5)C3 |
6-[4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-N-(phenylmethyl)pyrimidin-4-amine |
| 43984 | UXL CHEMBL5394907 |
1 | C20 H26 N6 O2 | InChI=1S/C20H26N6O2/c1-2- 25-18-17(19(27)23-20(25)2 8)26(11-13-6-5-7-13)16(22 -18)10-14-12-24-9-4-3-8-1 5(24)21-14/h12-13H,2-11H2 ,1H3,(H,23,27,28); XTQKTGYWGJOGNR-UHFFFAOYSA-N |
CCN1C(=O)NC(=O)c2n(CC3CCC3)c(Cc4cn5CCCCc 5n4)nc12; CCN1c2c(n(c(n2)Cc3cn4c(n3)CCCC 4)CC5CCC5)C(=O)NC1=O |
7-(cyclobutylmethyl)-3-ethyl-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione |
| 43985 | UXM CHEMBL5868988 |
0 | C22 H24 N6 O S | InChI=1S/C22H24N6OS/c1-2- 16-17(12-23)21(28-10-8-15 (25)9-11-28)27-22(18(16)1 3-24)30-19(20(26)29)14-6- 4-3-5-7-14/h3-7,15,19H,2, 8-11,25H2,1H3,(H2,26,29)/ t19-/m1/s1; KNKHRZYILDZLRE-LJQANCHMSA-N |
C(C(c1ccccc1)Sc3c(c(CC)c(c(N2CCC(CC2)N)n 3)C#N)C#N)(N)=O; CCc1c(C#N)c(S[CH](C(N)= O)c2ccccc2)nc(N3CCC(N)CC3)c1C#N; CCc1c(C #N)c(S[C@@H](C(N)=O)c2ccccc2)nc(N3CCC(N) CC3)c1C#N; CCc1c(c(nc(c1C#N)SC(c2ccccc2) C(=O)N)N3CCC(CC3)N)C#N; CCc1c(c(nc(c1C#N )S[C@H](c2ccccc2)C(=O)N)N3CCC(CC3)N)C#N |
(2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-phenylacetamide |
| 43986 | UXN | 1 | C13 H17 N O4 S | InChI=1S/C13H17NO4S/c1-14 (12-6-8-18-9-7-12)19(16,1 7)13-4-2-11(10-15)3-5-13/ h2-5,10,12H,6-9H2,1H3; AUXFBNNXAJNXJJ-UHFFFAOYSA-N |
CN(C1CCOCC1)[S](=O)(=O)c2ccc(C=O)cc2; CN (C1CCOCC1)S(=O)(=O)c2ccc(cc2)C=O |
4-methanoyl-N-methyl-N-(oxan-4-yl)benzenesulfonamide; 4-methanoyl-~{N}-methyl-~{N}-(oxan-4-yl)benzenesulfonamide |
| 43987 | UXO | 1 | C28 H33 N11 O7 | InChI=1S/C28H33N11O7/c1-2 -3-4-7-37(9-14-19(41)21(4 3)27(45-14)38-13-35-17-23 (29)31-11-33-25(17)38)8-5 -6-16-36-18-24(30)32-12-3 4-26(18)39(16)28-22(44)20 (42)15(10-40)46-28/h1,11- 15,19-22,27-28,40-44H,3-4 ,7-10H2,(H2,29,31,33)(H2, 30,32,34)/t14-,15+,19+,20 +,21+,22+,27-,28-/m0/s1; SDRDODQWXHJJNH-JMPZFLAQSA-N |
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CN(CCCC#C) CC#Cc4nc5c(N)ncnc5n4[C@@H]6O[C@H](CO)[C@ @H](O)[C@H]6O)[C@@H](O)[C@H]3O; C#CCCCN( CC#Cc1nc2c(ncnc2n1C3C(C(C(O3)CO)O)O)N)CC 4C(C(C(O4)n5cnc6c5ncnc6N)O)O; C#CCCCN(CC #Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H ](O3)CO)O)O)N)C[C@@H]4[C@H]([C@H]([C@@H] (O4)n5cnc6c5ncnc6N)O)O; Nc1ncnc2n(cnc12) [CH]3O[CH](CN(CCCC#C)CC#Cc4nc5c(N)ncnc5n 4[CH]6O[CH](CO)[CH](O)[CH]6O)[CH](O)[CH] 3O |
(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl-pent-4-ynyl-amino]methyl]oxolane-3,4-diol |
| 43988 | UXP ZINC000169702556 |
8 | C17 H22 N8 O | InChI=1S/C17H22N8O/c26-9- 11-3-1-2-6-25(11)17-20-15 (12-8-18-24-16(12)21-17)1 9-14-7-13(22-23-14)10-4-5 -10/h7-8,10-11,26H,1-6,9H 2,(H3,18,19,20,21,22,23,2 4)/t11-/m1/s1; YKDFQYJWKSLGGG-LLVKDONJSA-N |
c1c([nH]nc1Nc2c3c[nH]nc3nc(n2)N4CCCCC4CO )C5CC5; c1c([nH]nc1Nc2c3c[nH]nc3nc(n2)N4 CCCC[C@@H]4CO)C5CC5; OC[CH]1CCCCN1c2nc(N c3cc([nH]n3)C4CC4)c5c[nH]nc5n2; OC[C@H]1 CCCCN1c2nc(Nc3cc([nH]n3)C4CC4)c5c[nH]nc5 n2; C1CC1c2cc(nn2)Nc4nc(nc3c4cnn3)N5C(CO )CCCC5 |
[(2R)-1-{4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2H-pyrazolo[3,4-d]pyrimidin-6-yl}piperidin-2-yl]methanol |
| 43989 | UXQ | 0 | C12 H15 Cl N2 O3 | InChI=1S/C12H15ClN2O3/c13 -6-11(16)15-7-9-3-1-8(2-4 -9)5-10(14)12(17)18/h1-4, 10H,5-7,14H2,(H,15,16)(H, 17,18)/t10-/m0/s1; RWUOHIWHSADJQS-JTQLQIEISA-N |
c1cc(ccc1CC(C(=O)O)N)CNC(=O)CCl; c1cc(cc c1C[C@@H](C(=O)O)N)CNC(=O)CCl; N[C@@H](C c1ccc(CNC(=O)CCl)cc1)C(O)=O; N[CH](Cc1cc c(CNC(=O)CCl)cc1)C(O)=O |
(2S)-2-azanyl-3-[4-[(2-chloranylethanoylamino)methyl]phenyl]propanoic acid |
| 43990 | UXR CHEMBL5421054 ZINC000002008859 |
4 | C3 H7 O5 P | InChI=1S/C3H7O5P/c1-2(3(4 )5)9(6,7)8/h2H,1H3,(H,4,5 )(H2,6,7,8)/t2-/m0/s1; GUXRZQZCNOHHDO-REOHCLBHSA-N |
C[CH](C(O)=O)[P](O)(O)=O; C[C@@H](C(O)=O )[P](O)(O)=O; CC(C(=O)O)P(=O)(O)O; C[C@@ H](C(=O)O)P(=O)(O)O; O=C(O)C(C)P(=O)(O)O |
(2S)-2-phosphonopropanoic acid |
| 43991 | UXS ZINC000001694668 |
0 | C5 H13 N O S | InChI=1S/C5H13NOS/c1-8-3- 2-5(6)4-7/h5,7H,2-4,6H2,1 H3/t5-/m0/s1; MIQJGZAEWQQAPN-YFKPBYRVSA-N |
CSCC[CH](N)CO; C(C(N)CCSC)O; CSCC[C@@H]( CO)N; CSCCC(CO)N; CSCC[C@H](N)CO |
(2S)-2-amino-4-(methylsulfanyl)butan-1-ol |
| 43992 | UXT CHEMBL5087497 |
1 | C33 H43 N7 O | InChI=1S/C33H43N7O/c1-32( 2)12-16-38(17-13-32)22-27 -8-10-28(11-9-27)40-23-31 (41)37-33(24-40)14-18-39( 19-15-33)30-20-29(35-25-3 6-30)34-21-26-6-4-3-5-7-2 6/h3-11,20,25H,12-19,21-2 4H2,1-2H3,(H,37,41)(H,34, 35,36); SMOMNPRYHLVUTG-UHFFFAOYSA-N |
CC1(C)CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(CCN (CC4)c5cc(NCc6ccccc6)ncn5)C3; CC1(CCN(CC 1)Cc2ccc(cc2)N3CC(=O)NC4(C3)CCN(CC4)c5cc (ncn5)NCc6ccccc6)C |
4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one |
| 43993 | UXU CHEMBL4639113 |
1 | C14 H10 F4 O3 S2 | InChI=1S/C14H10F4O3S2/c1- 23(20,21)13-10-9(5-14(17, 18)12(10)19)11(22-13)6-2- 7(15)4-8(16)3-6/h2-4,12,1 9H,5H2,1H3/t12-/m0/s1; UWHUYKGCGHNLEP-LBPRGKRZSA-N |
C[S](=O)(=O)c1sc(c2CC(F)(F)[CH](O)c12)c3 cc(F)cc(F)c3; C[S](=O)(=O)c1sc(c2CC(F)(F )[C@@H](O)c12)c3cc(F)cc(F)c3; CS(=O)(=O) c1c2c(c(s1)c3cc(cc(c3)F)F)CC(C2O)(F)F; C S(=O)(=O)c1c2c(c(s1)c3cc(cc(c3)F)F)CC([C @H]2O)(F)F |
(4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-4-ol |
| 43994 | UXW CHEMBL5082067 |
1 | C32 H42 N8 O | InChI=1S/C32H42N8O/c1-31( 2)10-14-38(15-11-31)21-26 -8-9-27(20-33-26)40-22-30 (41)37-32(23-40)12-16-39( 17-13-32)29-18-28(35-24-3 6-29)34-19-25-6-4-3-5-7-2 5/h3-9,18,20,24H,10-17,19 ,21-23H2,1-2H3,(H,37,41)( H,34,35,36); LSPKIAXMFJWAHQ-UHFFFAOYSA-N |
CC1(C)CCN(CC1)Cc2ccc(cn2)N3CC(=O)NC4(CCN (CC4)c5cc(NCc6ccccc6)ncn5)C3; CC1(CCN(CC 1)Cc2ccc(cn2)N3CC(=O)NC4(C3)CCN(CC4)c5cc (ncn5)NCc6ccccc6)C |
4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-9-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one |
| 43995 | UXX | 1 | C31 H39 N13 O7 | InChI=1S/C31H39N13O7/c1-3 -5-6-9-42(12-17-22(46)23( 47)29(51-17)43-15-40-19-2 5(32)36-13-38-27(19)43)10 -7-8-18-41-20-26(33)37-14 -39-28(20)44(18)30-24(48) 21(45)16(50-30)11-35-31(4 9)34-4-2/h1,13-17,21-24,2 9-30,45-48H,4-6,9-12H2,2H 3,(H2,32,36,38)(H2,33,37, 39)(H2,34,35,49)/t16-,17- ,21-,22-,23-,24-,29-,30-/ m1/s1; SQXVDVDWDUFQHA-OZZDRAHTSA-N |
CCNC(=O)NCC1C(C(C(O1)n2c(nc3c2ncnc3N)C#C CN(CCCC#C)CC4C(C(C(O4)n5cnc6c5ncnc6N)O)O )O)O; CCNC(=O)NC[CH]1O[CH]([CH](O)[CH]1O )n2c(nc3c(N)ncnc23)C#CCN(CCCC#C)C[CH]4O[ CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56; CCNC (=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2c( nc3c(N)ncnc23)C#CCN(CCCC#C)C[C@H]4O[C@H] ([C@H](O)[C@@H]4O)n5cnc6c(N)ncnc56; CCNC (=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2c(n c3c2ncnc3N)C#CCN(CCCC#C)C[C@@H]4[C@H]([C @H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O |
1-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-pent-4-ynyl-amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-ethyl-urea |
| 43996 | UXY ZINC000005113470 |
0 | C6 H14 N2 O3 | InChI=1S/C6H14N2O3/c7-2-1 -4(9)3-5(8)6(10)11/h4-5,9 H,1-3,7-8H2,(H,10,11)/t4- ,5+/m1/s1; ASYBZHICIMVQII-UHNVWZDZSA-N |
C(CN)[C@H](C[C@@H](C(=O)O)N)O; NC(C(O)=O )CC(CCN)O; NCC[CH](O)C[CH](N)C(O)=O; NCC [C@@H](O)C[C@H](N)C(O)=O; C(CN)C(CC(C(=O )O)N)O |
(4R)-4-hydroxy-L-lysine |
| 43997 | UXZ CHEMBL5084812 |
1 | C27 H39 N7 O | InChI=1S/C27H39N7O/c1-26( 2)8-12-32(13-9-26)17-21-4 -6-22(7-5-21)34-18-25(35) 31-27(19-34)10-14-33(15-1 1-27)24-16-23(28-3)29-20- 30-24/h4-7,16,20H,8-15,17 -19H2,1-3H3,(H,31,35)(H,2 8,29,30); JNZJZYBWYKPHFG-UHFFFAOYSA-N |
CC1(CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(C3)CC N(CC4)c5cc(ncn5)NC)C; CNc1cc(ncn1)N2CCC3 (CC2)CN(CC(=O)N3)c4ccc(CN5CCC(C)(C)CC5)c c4 |
4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one |
| 43998 | UY0 | 1 | C27 H35 Cl N6 O3 S | InChI=1S/C27H35ClN6O3S/c1 -19-18-29-26(31-20-7-10-2 2(11-8-20)37-16-15-34-13- 5-6-14-34)32-25(19)30-21- 9-12-23(28)24(17-21)33-38 (35,36)27(2,3)4/h7-12,17- 18,33H,5-6,13-16H2,1-4H3, (H2,29,30,31,32); NXXALGDHLYKANS-UHFFFAOYSA-N |
Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc4ccc(C l)c(N[S](=O)(=O)C(C)(C)C)c4; Cc1cnc(nc1N c2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc( cc3)OCCN4CCCC4; CC(C)(C)S(=O)(=O)Nc1cc(c cc1Cl)Nc1nc(ncc1C)Nc1ccc(OCCN2CCCC2)cc1 |
N-{2-chloro-5-[(5-methyl-2-{4-[2-(pyrrolidin-1-yl)ethoxy]anilino}pyrimidin-4-yl)amino]phenyl}-2-methylpropane-2-sulfonamide |
| 43999 | UY1 | 0 | C10 H15 N2 O9 P | InChI=1S/C10H15N2O9P/c1-1 9-8-6(13)5(3-20-22(16,17) 18)21-7(8)4-2-11-10(15)12 -9(4)14/h2,5-8,13H,3H2,1H 3,(H2,16,17,18)(H2,11,12, 14,15)/t5-,6-,7+,8-/m1/s1; VLDJGRCZRDFORR-OOJXKGFFSA-N |
CO[C@@H]1[C@@H]([C@H](O[C@H]1C2=CNC(=O)N C2=O)COP(=O)(O)O)O; CO[CH]1[CH](O)[CH](C O[P](O)(O)=O)O[CH]1C2=CNC(=O)NC2=O; CO[C @@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@H] 1C2=CNC(=O)NC2=O; COC1C(C(OC1C2=CNC(=O)N C2=O)COP(=O)(O)O)O; C1(C(OC)C(O)C(O1)COP (=O)(O)O)C2C(=O)NC(N=C2)=O |
2'-O-methylpseudouridine-5'-monophosphate |
| 44000 | UY2 CHEMBL5083959 |
1 | C26 H37 N7 O | InChI=1S/C26H37N7O/c1-25( 2)8-12-31(13-9-25)17-20-4 -6-21(7-5-20)33-18-26(30- 24(33)34)10-14-32(15-11-2 6)23-16-22(27-3)28-19-29- 23/h4-7,16,19H,8-15,17-18 H2,1-3H3,(H,30,34)(H,27,2 8,29); JSLLBTAATPZHSC-UHFFFAOYSA-N |
CNc1cc(ncn1)N2CCC3(CC2)CN(C(=O)N3)c4ccc( CN5CCC(C)(C)CC5)cc4; CC1(CCN(CC1)Cc2ccc( cc2)N3CC4(CCN(CC4)c5cc(ncn5)NC)NC3=O)C |
3-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-8-[6-(methylamino)pyrimidin-4-yl]-1,3,8-triazaspiro[4.5]decan-2-one |