Search Ligand
Browse Ligand
| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 21201 |  FU8 |
2 | C7 H4 Fe2 N2 O3 S2 | InChI=1S/C2H4S2.2CN.3CO.2 Fe/c3-1-2-4;5*1-2;;/h1-2H 2;;;;;;;/q;;;;2*+1;;; MZEMAHMYMVUPIF-UHFFFAOYSA-N |
C1C[S]2[Fe]3([S]1[Fe]2(C3=O)(C#N)C#[O+]) (C#N)C#[O+]; O=C1[Fe](SCCS[Fe]1(C#N)C#[O +])(C#N)C#[O+] |
dicarbonyl[bis(cyanide-kappaC)]-mu-(ethanethiolatato-1kappaS:2kappaS)-mu-(ox omethylidene)diiron(2+) |
| 21202 |  FU9 CHEMBL1682297 ZINC000066102247 |
1 | C22 H16 F3 N5 O2 | InChI=1S/C22H16F3N5O2/c23 -22(24,25)12-2-1-3-14(9-1 2)27-19-18-16(10-26-21(30 -18)28-13-5-6-13)15-7-4-1 1(20(31)32)8-17(15)29-19/ h1-4,7-10,13H,5-6H2,(H,27 ,29)(H,31,32)(H,26,28,30); UXZATHOFDZQOMY-UHFFFAOYSA-N |
c1cc(cc(c1)Nc2c3c(cnc(n3)NC4CC4)c5ccc(cc 5n2)C(=O)O)C(F)(F)F; FC(F)(F)c1cc(ccc1)N c5nc2cc(C(=O)O)ccc2c3c5nc(nc3)NC4CC4; OC (=O)c1ccc2c(c1)nc(Nc3cccc(c3)C(F)(F)F)c4 nc(NC5CC5)ncc24 |
3-(cyclopropylamino)-5-{[3-(trifluoromethyl)phenyl]amino}pyrimido[4,5-c]quinoline-8-carboxylic acid; CX-5279 |
| 21203 |  FUA CHEMBL374975 DB02703 ZINC000008143796 |
58 | C31 H48 O6 | InChI=1S/C31H48O6/c1-17(2 )9-8-10-20(28(35)36)26-22 -15-24(34)27-29(5)13-12-2 3(33)18(3)21(29)11-14-30( 27,6)31(22,7)16-25(26)37- 19(4)32/h9,18,21-25,27,33 -34H,8,10-16H2,1-7H3,(H,3 5,36)/b26-20-/t18-,21-,22 -,23+,24+,25-,27-,29-,30- ,31-/m0/s1; IECPWNUMDGFDKC-MZJAQBGESA-N |
C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@] 3(C)[C@H]2[C@H](O)C[C@H]4\C([C@H](C[C@]3 4C)OC(C)=O)=C(/CCC=C(C)C)C(O)=O; C[CH]1[ CH](O)CC[C]2(C)[CH]1CC[C]3(C)[CH]2[CH](O )C[CH]4C([CH](C[C]34C)OC(C)=O)=C(CCC=C(C )C)C(O)=O; CC1C2CCC3(C(C2(CCC1O)C)C(CC4C 3(CC(C4=C(CCC=C(C)C)C(=O)O)OC(=O)C)C)O)C ; C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C @H]1O)C)[C@@H](C[C@@H]\4[C@@]3(C[C@@H](/ C4=C(/CCC=C(C)C)\C(=O)O)OC(=O)C)C)O)C; O =C(O)/C(=C2/C1CC(O)C3C(C1(CC2OC(=O)C)C)( C)CCC4C(C)C(O)CCC34C)CC\C=C(/C)C |
FUSIDIC ACID |
| 21204 |  FUB ZINC000004097027 |
221 | C5 H10 O5 | InChI=1S/C5H10O5/c6-1-2-3 (7)4(8)5(9)10-2/h2-9H,1H2 /t2-,3-,4+,5-/m0/s1; HMFHBZSHGGEWLO-KLVWXMOXSA-N |
OC[C@@H]1O[C@H](O)[C@H](O)[C@H]1O; C([C@ H]1[C@@H]([C@H]([C@H](O1)O)O)O)O; C(C1C( C(C(O1)O)O)O)O; OC[CH]1O[CH](O)[CH](O)[C H]1O; OC1C(OC(O)C1O)CO |
beta-L-arabinofuranose; beta-L-arabinose; L-arabinose; arabinose |
| 21205 |  FUC CHEMBL1232862 DB04473 ZINC000001532814 |
1647 | C6 H12 O5 | InChI=1S/C6H12O5/c1-2-3(7 )4(8)5(9)6(10)11-2/h2-10H ,1H3/t2-,3+,4+,5-,6+/m0/s 1; SHZGCJCMOBCMKK-SXUWKVJYSA-N |
C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H ]1O; OC1C(O)C(OC(O)C1O)C; CC1C(C(C(C(O1) O)O)O)O; C[C@H]1[C@H]([C@H]([C@@H]([C@@H ](O1)O)O)O)O; C[CH]1O[CH](O)[CH](O)[CH]( O)[CH]1O |
alpha-L-fucopyranose; alpha-L-fucose; 6-deoxy-alpha-L-galactopyranose; L-fucose; fucose |
| 21206 |  FUD CHEMBL1232863 ZINC000001532049 |
54 | C6 H12 O6 | InChI=1S/C6H12O6/c7-1-3(9 )5(11)6(12)4(10)2-8/h3,5- 9,11-12H,1-2H2/t3-,5-,6-/ m1/s1; BJHIKXHVCXFQLS-UYFOZJQFSA-N |
OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO; O=C (C(O)C(O)C(O)CO)CO; C(C(C(C(C(=O)CO)O)O) O)O; C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O) O; OC[CH](O)[CH](O)[CH](O)C(=O)CO |
D-fructose |
| 21207 |  FUE CHEMBL4175992 |
1 | C32 H36 F N5 O2 | InChI=1S/C32H36FN5O2/c1-2 1-16-36(26(15-34-21)18-37 -17-24-6-4-5-7-27(24)31(3 7)40)19-29(39)38-20-32(2, 3)30-28(38)13-23(14-35-30 )12-22-8-10-25(33)11-9-22 /h4-11,13-14,21,26,34H,12 ,15-20H2,1-3H3/t21-,26-/m 1/s1; XYDGOXJJDFKAAT-QFQXNSOFSA-N |
CC1CN(C(CN1)CN2Cc3ccccc3C2=O)CC(=O)N4CC( c5c4cc(cn5)Cc6ccc(cc6)F)(C)C; C[C@@H]1CN ([C@H](CN1)CN2Cc3ccccc3C2=O)CC(=O)N4CC(c 5c4cc(cn5)Cc6ccc(cc6)F)(C)C; C[C@@H]1CN( CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4)cc23) [C@H](CN1)CN5Cc6ccccc6C5=O; C[CH]1CN(CC( =O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4)cc23)[CH ](CN1)CN5Cc6ccccc6C5=O |
2-[[(2~{R},5~{R})-1-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-piperazin-2-yl]methyl]-3~{H}-isoindol-1-one |
| 21208 |  FUF ZINC000006499605 |
7 | C6 H11 F O4 | InChI=1S/C6H11FO4/c1-2-4( 8)5(9)3(7)6(10)11-2/h2-6, 8-10H,1H3/t2-,3-,4+,5-,6- /m0/s1; IRKXGKIPOMIQOD-QYESYBIKSA-N |
C[C@@H]1O[C@H](O)[C@@H](F)[C@H](O)[C@@H] 1O; C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O )F)O)O; FC1C(O)C(O)C(OC1O)C; C[CH]1O[CH] (O)[CH](F)[CH](O)[CH]1O; CC1C(C(C(C(O1)O )F)O)O |
2-deoxy-2-fluoro-beta-L-fucopyranose; 2,6-DIDEOXY-2-FLUORO-BETA-L-LYXO-HEXOPYRANOSE; 2,6-dideoxy-2-fluoro-beta-L-galactopyranose; 2-deoxy-2-fluoro-beta-L-fucose; 2-deoxy-2-fluoro-L-fucose; 2-deoxy-2-fluoro-fucose |
| 21209 |  FUG ZINC000015295075 |
3 | C26 H36 O7 | InChI=1S/C26H36O7/c1-18(2 )14-15-20-26(4,33-20)24-2 3(31-5)19(16-17-25(24,3)3 0)32-22(29)13-11-9-7-6-8- 10-12-21(27)28/h6-14,19-2 0,23-24,30H,15-17H2,1-5H3 ,(H,27,28)/b8-6+,9-7+,12- 10+,13-11+/t19-,20-,23-,2 4+,25-,26+/m1/s1; XXVWUXWNPOXVQB-ZFSLZHKLSA-N |
CC(=CCC1C(O1)(C)C2C(C(CCC2(C)O)OC(=O)C=C C=CC=CC=CC(=O)O)OC)C; CC(=CC[C@@H]1[C@@] (O1)(C)[C@H]2[C@@H]([C@@H](CC[C@@]2(C)O) OC(=O)C=C\C=C\C=C\C=C\C(=O)O)OC)C; CO[CH ]1[CH](CC[C](C)(O)[CH]1[C]2(C)O[CH]2CC=C (C)C)OC(=O)C=CC=CC=CC=CC(O)=O; CO[C@@H]1 [C@@H](CC[C@@](C)(O)[C@H]1[C@@]2(C)O[C@@ H]2CC=C(C)C)OC(=O)\C=C\C=C\C=C\C=C\C(O)= O; O=C(O)\C=C\C=C\C=C\C=C\C(=O)OC2CCC(O) (C(C1(OC1C/C=C(/C)C)C)C2OC)C |
FUMAGILLIN |
| 21210 |  FUH ZINC000584905583 |
1 | C20 H33 N3 O16 P2 | InChI=1S/C20H33N3O16P2/c1 -8-6-23(20(30)22-18(8)29) 14-5-11(25)12(37-14)7-35- 40(31,32)39-41(33,34)38-1 9-17(28)15(16(27)10(3)36- 19)21-13(26)4-9(2)24/h6,9 -12,14-17,19,24-25,27-28H ,4-5,7H2,1-3H3,(H,21,26)( H,31,32)(H,33,34)(H,22,29 ,30)/t9-,10-,11+,12-,14-, 15+,16+,17-,19-/m1/s1; SFDGKYQEVYNQBU-NKKVZDNESA-N |
C[C@@H](O)CC(=O)N[C@H]1[C@@H](O)[C@@H](C )O[C@H](O[P](O)(=O)O[P](O)(=O)OC[C@H]2O[ C@H](C[C@@H]2O)N3C=C(C)C(=O)NC3=O)[C@@H] 1O; C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1 )OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H ](O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)C[C@@H ](C)O)O; CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O )OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C)O)O)NC(= O)CC(C)O)O; C[CH](O)CC(=O)N[CH]1[CH](O)[ CH](C)O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH] 2O[CH](C[CH]2O)N3C=C(C)C(=O)NC3=O)[CH]1O |
|
| 21211 |  FUI CHEMBL379761 ZINC000014976923 |
1 | C20 H21 Cl N4 O2 | InChI=1S/C20H21ClN4O2/c1- 13(2)18-17(23-20(27)22-15 -11-9-14(21)10-12-15)19(2 6)25(24(18)3)16-7-5-4-6-8 -16/h4-13H,1-3H3,(H2,22,2 3,27); PAEBEUZTAPIOIO-UHFFFAOYSA-N |
Clc1ccc(cc1)NC(=O)NC=1C(=O)N(c2ccccc2)N( C)C=1C(C)C; CC(C)C1=C(C(=O)N(N1C)c2ccccc 2)NC(=O)Nc3ccc(cc3)Cl; CC(C)C1=C(NC(=O)N c2ccc(Cl)cc2)C(=O)N(N1C)c3ccccc3 |
N-(4-chlorophenyl)-N'-[1-methyl-3-oxo-2-phenyl-5-(propan-2-yl)-2,3-dihydro-1H-pyrazol-4-yl]urea |
| 21212 |  FUJ CHEMBL4460704 ZINC000001872056 |
2 | C11 H11 O6 P | InChI=1S/C11H11O6P/c1-16- 8-2-3-9-7(6-18(13,14)15)4 -11(12)17-10(9)5-8/h2-5H, 6H2,1H3,(H2,13,14,15); HFSBVOLOSSLWNW-UHFFFAOYSA-N |
COc1ccc2c(c1)OC(C=C2CP(O)(O)=O)=O; COc1c cc2c(c1)OC(=O)C=C2CP(=O)(O)O; COc1ccc2C( =CC(=O)Oc2c1)C[P](O)(O)=O |
[(7-methoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid |
| 21213 |  FUK CHEMBL4170539 |
2 | C30 H42 F N5 O3 | InChI=1S/C30H42FN5O3/c1-1 9-13-34(25(12-32-19)14-35 -20(2)16-39-17-21(35)3)15 -27(37)36-18-30(4,5)29-26 (36)10-23(11-33-29)28(38) 22-6-8-24(31)9-7-22/h6-11 ,19-21,25,28,32,38H,12-18 H2,1-5H3/t19-,20-,21-,25- ,28+/m1/s1; MVQVBQBVVYPBCQ-DTRJGPSISA-N |
CC1CN(C(CN1)CN2C(COCC2C)C)CC(=O)N3CC(c4c 3cc(cn4)C(c5ccc(cc5)F)O)(C)C; C[C@@H]1CN ([C@H](CN1)CN2[C@@H](COC[C@H]2C)C)CC(=O) N3CC(c4c3cc(cn4)[C@H](c5ccc(cc5)F)O)(C)C ; C[CH]1CN(CC(=O)N2CC(C)(C)c3ncc(cc23)[C H](O)c4ccc(F)cc4)[CH](CN1)CN5[CH](C)COC[ CH]5C; C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc( cc23)[C@@H](O)c4ccc(F)cc4)[C@H](CN1)CN5[ C@H](C)COC[C@H]5C |
2-[(2~{R},5~{R})-2-[[(3~{R},5~{R})-3,5-dimethylmorpholin-4-yl]methyl]-5-methyl-piperazin-1-yl]-1-[6-[(~{S})-(4-fluorophenyl)-oxidanyl-methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]ethanone |
| 21214 |  FUL CHEMBL1230861 DB03283 ZINC000001532813 |
246 | C6 H12 O5 | InChI=1S/C6H12O5/c1-2-3(7 )4(8)5(9)6(10)11-2/h2-10H ,1H3/t2-,3+,4+,5-,6-/m0/s 1; SHZGCJCMOBCMKK-KGJVWPDLSA-N |
C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O )O; OC1C(O)C(OC(O)C1O)C; C[C@@H]1O[C@H]( O)[C@@H](O)[C@H](O)[C@@H]1O; CC1C(C(C(C( O1)O)O)O)O; C[CH]1O[CH](O)[CH](O)[CH](O) [CH]1O |
beta-L-fucopyranose; beta-L-fucose; 6-deoxy-beta-L-galactopyranose; L-fucose; fucose; 6-DEOXY-BETA-L-GALACTOSE |
| 21215 |  FUM CHEMBL503160 DB01677 ZINC000003860193 |
167 | C4 H4 O4 | InChI=1S/C4H4O4/c5-3(6)1- 2-4(7)8/h1-2H,(H,5,6)(H,7 ,8)/b2-1+; VZCYOOQTPOCHFL-OWOJBTEDSA-N |
C(=CC(=O)O)C(=O)O; C(=C/C(=O)O)\C(=O)O; OC(=O)\C=C\C(O)=O; O=C(O)\C=C\C(=O)O; OC (=O)C=CC(O)=O |
FUMARIC ACID |
| 21216 |  FUN CHEMBL35 DB00695 ZINC000000035804 |
15 | C12 H11 Cl N2 O5 S | InChI=1S/C12H11ClN2O5S/c1 3-9-5-10(15-6-7-2-1-3-20- 7)8(12(16)17)4-11(9)21(14 ,18)19/h1-5,15H,6H2,(H,16 ,17)(H2,14,18,19); ZZUFCTLCJUWOSV-UHFFFAOYSA-N |
O=S(=O)(N)c1c(Cl)cc(c(C(=O)O)c1)NCc2occc 2; c1cc(oc1)CNc2cc(c(cc2C(=O)O)S(=O)(=O) N)Cl; N[S](=O)(=O)c1cc(C(O)=O)c(NCc2occc 2)cc1Cl |
5-(AMINOSULFONYL)-4-CHLORO-2-[(2-FURYLMETHYL)AMINO]BENZOIC ACID; Furosemide |
| 21217 |  FUO CHEMBL5088088 |
4 | C31 H36 N4 O3 | InChI=1S/C31H36N4O3/c36-3 0(33-22-25-4-2-1-3-5-25)2 1-28-11-8-27(23-32-28)26- 9-12-29(13-10-26)38-19-18 -34-14-16-35(17-15-34)31( 37)20-24-6-7-24/h1-5,8-13 ,23-24H,6-7,14-22H2,(H,33 ,36); ZSFOXUGASROPSO-UHFFFAOYSA-N |
O=C(Cc1ccc(cn1)c2ccc(OCCN3CCN(CC3)C(=O)C C4CC4)cc2)NCc5ccccc5; c1ccc(cc1)CNC(=O)C c2ccc(cn2)c3ccc(cc3)OCCN4CCN(CC4)C(=O)CC 5CC5 |
2-[5-[4-[2-[4-(2-cyclopropylethanoyl)piperazin-1-yl]ethoxy]phenyl]pyridin-2-yl]-N-(phenylmethyl)ethanamide |
| 21218 |  FUP DB04068 ZINC000012504122 |
1 | C9 H13 F N2 O10 P2 | InChI=1S/C9H13FN2O10P2/c1 0-5-3-8(12-2-1-7(13)11-9( 12)14)21-6(5)4-20-24(18,1 9)22-23(15,16)17/h1-2,5-6 ,8H,3-4H2,(H,18,19)(H,11, 13,14)(H2,15,16,17)/t5-,6 +,8+/m0/s1; WLQBZMZTRNPUDL-SHYZEUOFSA-N |
C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O )(O)O)F; C1[C@@H]([C@H](O[C@H]1N2C=CC(=O )NC2=O)CO[P@](=O)(O)OP(=O)(O)O)F; O[P](O )(=O)O[P@](O)(=O)OC[C@H]1O[C@H](C[C@@H]1 F)N2C=CC(=O)NC2=O; O=P(O)(O)OP(=O)(O)OCC 2OC(N1C(=O)NC(=O)C=C1)CC2F; O[P](O)(=O)O [P](O)(=O)OC[CH]1O[CH](C[CH]1F)N2C=CC(=O )NC2=O |
2',3'-DIDEOXY-3'-FLUORO-URIDIDINE-5'-DIPHOSPHATE; FUDP |
| 21219 |  FUQ |
13 | H20 Mo5 O25 | InChI=1S/5Mo.20H2O.5O/h;; ;;;20*1H2;;;;;/q5*+4;;;;; ;;;;;;;;;;;;;;;;;;;;/p-20; KKTGFJKWMBVMER-UHFFFAOYSA-A |
O[Mo]1(O)(O)(O)O[Mo](O)(O)(O)(O)O[Mo](O) (O)(O)(O)O[Mo](O)(O)(O)(O)O[Mo](O)(O)(O) (O)O1; O[Mo]1(O[Mo](O[Mo](O[Mo](O[Mo](O1 )(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O) (O)O)(O)(O)O |
Mo5 Cluster |
| 21220 |  FUR ZINC000033821307 |
4 | C8 H5 N3 O5 | InChI=1S/C8H5N3O5/c12-8-1 0(3-4-15-8)9-5-6-1-2-7(16 -6)11(13)14/h1-5H/b9-5+; OEJYWOUVKXLNIN-WEVVVXLNSA-N |
[O-][N+](=O)c1oc(cc1)C=NN2C=COC2=O; O=C2 OC=CN2/N=C/c1oc([N+]([O-])=O)cc1; [O-][N +](=O)c1oc(cc1)\C=N\N2C=COC2=O; c1cc(oc1 C=NN2C=COC2=O)[N+](=O)[O-] |
Furazolidone |
| 21221 |  FUS CHEMBL355001 ZINC000238809258 |
1 | H4 N2 O2 S | InChI=1S/H4N2O2S/c1-5(2,3 )4/h(H4,1,2,3,4); NVBFHJWHLNUMCV-UHFFFAOYSA-N |
N[S](N)(=O)=O; NS(=O)(=O)N | sulfuric diamide |
| 21222 |  FUU CHEMBL4576082 ZINC000095920723 |
2 | C16 H14 N4 O6 | InChI=1S/C16H14N4O6/c21-1 3(22)9-25-11-4-1-3-10(7-1 1)8-17-15(23)18-16-20-19- 14(26-16)12-5-2-6-24-12/h 1-7H,8-9H2,(H,21,22)(H2,1 7,18,20,23); COAUEHYQQBGZLC-UHFFFAOYSA-N |
O=C(Nc1nnc(o1)c2occc2)NCc3cccc(OCC(=O)O) c3; OC(=O)COc1cccc(CNC(=O)Nc2oc(nn2)c3oc cc3)c1; c1cc(cc(c1)OCC(=O)O)CNC(=O)Nc2nn c(o2)c3ccco3 |
2-(3-((3-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)ureido)methyl)phenoxy)acetic acid |
| 21223 |  FUV |
1 | C23 H28 Cl N3 O7 | InChI=1S/C23H28ClN3O7/c24 -12-5-6-15-13(11-12)21(25 -14-3-1-2-4-16(14)33-15)2 6-7-9-27(10-8-26)22-19(30 )17(28)18(29)20(34-22)23( 31)32/h1-2,5-6,11,14,16-2 0,22,28-30H,3-4,7-10H2,(H ,31,32)/t14-,16-,17+,18+, 19-,20+,22-/m1/s1; OXNRDDVCZKYHOL-IBISMJPWSA-N |
c1cc2c(cc1Cl)C(=N[C@@H]3CC=CC[C@H]3O2)N4 CCN(CC4)[C@H]5[C@@H]([C@H]([C@@H]([C@H]( O5)C(=O)O)O)O)O; c1cc2c(cc1Cl)C(=NC3CC=C CC3O2)N4CCN(CC4)C5C(C(C(C(O5)C(=O)O)O)O) O; O[CH]1[CH](O)[CH](O[CH]([CH]1O)C(O)=O )N2CCN(CC2)C3=N[CH]4CC=CC[CH]4Oc5ccc(Cl) cc35; O[C@@H]1[C@@H](O)[C@@H](O[C@@H]([C @H]1O)C(O)=O)N2CCN(CC2)C3=N[C@@H]4CC=CC[ C@H]4Oc5ccc(Cl)cc35; C(C5C(C(C(C(N1CCN(C C1)C=4c2c(ccc(c2)Cl)OC3C(CC=CC3)N=4)O5)O )O)O)(=O)O |
(5aR,9aR)-2-chloro-11-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5a,6,9,9a-tetrahydrodibenzo[b,f][1,4]oxazepine |
| 21224 |  FUW |
1 | C26 H34 O3 | InChI=1S/C26H34O3/c1-5-21 (13-14-22-17-24(27)18-25( 28)19(22)2)23-12-9-11-20( 16-23)10-7-6-8-15-26(3,4) 29/h9,11-14,16,24-25,27-2 9H,2,5,7,10,15,17-18H2,1, 3-4H3/b21-13+,22-14-/t24- ,25-/m0/s1; OLHIEYMTIUZOBO-FNSLBOAPSA-N |
CC/C(=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)/c 2cccc(c2)CCC#CCC(C)(C)O; CC\C(=C/C=C1/C[ C@@H](O)C[C@H](O)C1=C)c2cccc(CCC#CCC(C)( C)O)c2; CCC(=CC=C1C[CH](O)C[CH](O)C1=C)c 2cccc(CCC#CCC(C)(C)O)c2; CCC(=CC=C1CC(CC (C1=C)O)O)c2cccc(c2)CCC#CCC(C)(C)O |
(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-hept-3-ynyl)phenyl]pent-2-enylidene]cyclohexane-1,3-diol |
| 21225 |  FUX CHEMBL185885 DB12298 ZINC000000900788 |
3 | C6 H6 O3 | InChI=1S/C6H6O3/c7-3-5-1- 2-6(4-8)9-5/h1-3,8H,4H2; NOEGNKMFWQHSLB-UHFFFAOYSA-N |
OCc1oc(C=O)cc1; c1cc(oc1CO)C=O; O=Cc1oc( cc1)CO |
5-HYDROXYMETHYL-FURFURAL |
| 21226 |  FUY ZINC000058631708 |
2 | C6 H12 N3 O4 | InChI=1S/C6H12N3O4/c1-2-3 (10)4(11)5(12)6(13-2)8-9- 7/h2-7,10-12H,1H3/q+1/t2- ,3+,4+,5-,6-/m0/s1; UVVVIJNFFIMQDY-KGJVWPDLSA-N |
C[C@@H]1O[C@H](N=[N+]=N)[C@@H](O)[C@H](O )[C@@H]1O; C[CH]1O[CH](N=[N+]=N)[CH](O)[ CH](O)[CH]1O; [N@H]=[N+]=N/C1OC(C(O)C(O) C1O)C; CC1C(C(C(C(O1)N=[N+]=N)O)O)O; C[C @H]1[C@H]([C@H]([C@@H]([C@H](O1)N=[N+]=N )O)O)O |
beta-L-fucosyl-azide; 1-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]triaza-1,2-dien-2-ium; IMINO-[(2S,3S,4R,5S,6S)-3,4,5-TRIHYDROXY-6-METHYL-OXAN-2-YL]IMINO-AZANIUM |
| 21227 |  FUZ CHEMBL1492146 ZINC000000113222 |
5 | C12 H11 N O3 | InChI=1S/C12H11NO3/c14-12 (15)10-5-1-2-6-11(10)13-8 -9-4-3-7-16-9/h1-7,13H,8H 2,(H,14,15); CKOPWCOBXHDAOZ-UHFFFAOYSA-N |
OC(=O)c1ccccc1NCc2occc2; O=C(O)c2c(NCc1o ccc1)cccc2; c1ccc(c(c1)C(=O)O)NCc2ccco2 |
2-[(furan-2-ylmethyl)amino]benzoic acid |
| 21228 |  FV0 ZINC000098208906 |
0 | C14 H24 N2 O | InChI=1S/C14H24N2O/c1-11( 2)9-16-10-14(17)13(15)8-1 2-6-4-3-5-7-12/h3-7,11,13 -14,16-17H,8-10,15H2,1-2H 3/t13-,14+/m0/s1; RHCZPSYTFNEZBK-UONOGXRCSA-N |
CC(C)CNC[C@@H](O)[C@@H](N)Cc1ccccc1; OC( C(N)Cc1ccccc1)CNCC(C)C; CC(C)CNC[C@H]([C @H](Cc1ccccc1)N)O; CC(C)CNCC(C(Cc1ccccc1 )N)O; CC(C)CNC[CH](O)[CH](N)Cc1ccccc1 |
(2R,3S)-3-amino-1-[(2-methylpropyl)amino]-4-phenylbutan-2-ol |
| 21229 |  FV1 |
1 | C3 H8 O7 P V | InChI=1S/C3H7O4P.2H2O.O.V /c1-2-3(7-2)8(4,5)6;;;;/h 2-3H,1H3,(H2,4,5,6);2*1H2 ;;/q;;;;+3/p-3/t2-,3+;;;; /m0..../s1; NKJNPQRWDUSUDP-VKZMHLLXSA-K |
C[CH]1O[CH]1[P](O)(=O)O[V](O)(O)=O; O=[V ](OP(=O)(O)C1OC1C)(O)O; C[C@H]1[C@H](O1) [P@](=O)(O)O[V](=O)(O)O; C[C@@H]1O[C@@H] 1[P](O)(=O)O[V](O)(O)=O; CC1C(O1)P(=O)(O )O[V](=O)(O)O |
dihydroxy{[(2R,3S)-3-methyloxiran-2-yl]phosphonato-kappaO}oxovanadium |
| 21230 |  FV2 |
1 | Mo8 O30 | InChI=1S/8Mo.18H2O.12O/h; ;;;;;;;18*1H2;;;;;;;;;;;; /q2*+1;2*+2;4*+3;;;;;;;;; ;;;;;;;;;;;;;;;;;;;;;/p-1 8; OYDJOMQLWBZCKT-UHFFFAOYSA-A |
[O][Mo]12(O[Mo]3(O[Mo]456(O3[Mo]7(O1)(O2 [Mo]8(O7[Mo]91(O4)(O8[Mo]2(O9[Mo](O15)(O 2)(O6)([O])[O])([O])([O])[O])[O])([O])([ O])[O])([O])[O])[O])([O])([O])[O])([O])[ O]; O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O. O1[Mo]O[Mo]23O[Mo]O[Mo]45O[Mo](O[Mo](O[M o]1O2)O3)O[Mo](O4)O5 |
Mo8 cluster |
| 21231 |  FV3 |
8 | C18 H32 O3 | InChI=1S/C18H32O3/c1-15(2 )7-5-8-16(3)9-6-10-17(4)1 1-12-21-14-18(20)13-19/h7 ,9,11,18-20H,5-6,8,10,12- 14H2,1-4H3/b16-9+,17-11+/ t18-/m0/s1; VGIZXGYRSPTVQF-RNKQFFRGSA-N |
CC(=CCC/C(=C/CC/C(=C/COC[C@H](CO)O)/C)/C )C; CC(C)=CCCC(C)=CCCC(C)=CCOC[CH](O)CO; CC(C)=CCCC(/C)=C/CCC(/C)=C/COC[C@@H](O) CO; CC(=CCCC(=CCCC(=CCOCC(CO)O)C)C)C |
(2S)-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol |
| 21232 |  FV4 CHEMBL4218552 |
1 | C20 H22 Cl F N4 | InChI=1S/C20H22ClFN4/c1-1 3-9-15(10-14(2)19(13)22)1 2-26-18-11-16(21)3-4-17(1 8)24-20(26)25-7-5-23-6-8- 25/h3-4,9-11,23H,5-8,12H2 ,1-2H3; HQRYJQRNCCMWFK-UHFFFAOYSA-N |
Cc1cc(cc(c1F)C)Cn2c3cc(ccc3nc2N4CCNCC4)C l; n3c1ccc(cc1n(Cc2cc(c(c(C)c2)F)C)c3N4C CNCC4)Cl; Cc1cc(Cn2c3cc(Cl)ccc3nc2N4CCNC C4)cc(C)c1F |
6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole |
| 21233 |  FV5 |
3 | C23 H40 N4 O10 S2 | InChI=1S/C23H40N4O10S2/c1 -14(2)10-17(20(29)25-18(2 1(30)39(34,35)36)11-15-4- 7-24-19(15)28)26-22(31)37 -16-12-23(13-16)5-8-27(9- 6-23)38(3,32)33/h14-18,21 ,30H,4-13H2,1-3H3,(H,24,2 8)(H,25,29)(H,26,31)(H,34 ,35,36)/t15-,17-,18-,21+/ m0/s1; DXHKTWBJEAVWSD-QUJKESNLSA-N |
CC(C)C[CH](NC(=O)OC1CC2(CCN(CC2)[S](C)(= O)=O)C1)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O) [S](O)(=O)=O; CC(C)CC(C(=O)NC(CC1CCNC1=O )C(O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3) S(=O)(=O)C; CC(C)C[C@H](NC(=O)OC1CC2(CCN (CC2)[S](C)(=O)=O)C1)C(=O)N[C@@H](C[C@@H ]3CCNC3=O)[C@H](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)OC2CC3(C2)CCN(CC3)S(= O)(=O)C; O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(= O)OC1CC2(CCN(CC2)S(C)(=O)=O)C1)C(O)S(=O) (=O)O |
(1R,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
| 21234 |  FV7 CHEMBL4214176 |
1 | C26 H25 Cl2 F N4 | InChI=1S/C26H25Cl2FN4/c1- 16-11-18(12-17(2)24(16)29 )15-33-23-14-19(27)13-21( 20-5-3-4-6-22(20)28)25(23 )31-26(33)32-9-7-30-8-10- 32/h3-6,11-14,30H,7-10,15 H2,1-2H3; YIYWIIQFTVKZTC-UHFFFAOYSA-N |
Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CCNCC4) c5ccccc5Cl)Cl; n4c2c(c1ccccc1Cl)cc(cc2n( Cc3cc(C)c(F)c(c3)C)c4N5CCNCC5)Cl; Cc1cc( Cn2c3cc(Cl)cc(c4ccccc4Cl)c3nc2N5CCNCC5)c c(C)c1F |
6-chloro-4-(2-chlorophenyl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole |
| 21235 |  FV8 |
3 | C16 H18 N4 O5 | InChI=1S/C16H18N4O5/c1-9- 13(16(23)20(24)6-5-10-7-1 7-8-18-10)19-15(25-9)11-3 -2-4-12(21)14(11)22/h2-4, 7-9,13,21-22,24H,5-6H2,1H 3,(H,17,18)/t9-,13+/m1/s1; FCWIGDCVHNNXFS-RNCFNFMXSA-N |
C[C@@H]1[C@H](N=C(O1)c2cccc(c2O)O)C(=O)N (CCc3c[nH]cn3)O; CC1C(N=C(O1)c2cccc(c2O) O)C(=O)N(CCc3c[nH]cn3)O; C[C@H]1OC(=N[C@ @H]1C(=O)N(O)CCc2c[nH]cn2)c3cccc(O)c3O; C[CH]1OC(=N[CH]1C(=O)N(O)CCc2c[nH]cn2)c3 cccc(O)c3O |
(4~{S},5~{R})-2-[2,3-bis(oxidanyl)phenyl]-~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]-5-methyl-~{N}-oxidanyl-4,5-dihydro-1,3-oxazole-4-carboxamide |
| 21236 |  FV9 CHEMBL4472025 |
1 | C20 H17 F N4 O7 P2 S | InChI=1S/C20H17FN4O7P2S/c 21-13-6-4-11(5-7-13)18(26 )22-14-3-1-2-12(10-14)16- 23-17(15-8-9-35-19(15)24- 16)25-20(33(27,28)29)34(3 0,31)32/h1-10,20H,(H,22,2 6)(H,23,24,25)(H2,27,28,2 9)(H2,30,31,32); LIRGVHIAOLGZJX-UHFFFAOYSA-N |
O[P](O)(=O)C(Nc1nc(nc2sccc12)c3cccc(NC(= O)c4ccc(F)cc4)c3)[P](O)(O)=O; c1cc(cc(c1 )NC(=O)c2ccc(cc2)F)c3nc(c4ccsc4n3)NC(P(= O)(O)O)P(=O)(O)O; OP(O)(=O)C(P(O)(O)=O)N c2c1c(scc1)nc(n2)c3cc(ccc3)NC(c4ccc(F)cc 4)=O |
{[(2-{3-[(4-fluorobenzene-1-carbonyl)amino]phenyl}thieno[2,3-d]pyrimidin-4-yl)amino]methylene}bis(phosphonic acid) |
| 21237 |  FVA ZINC000000398891 |
0 | C6 H11 N O3 | InChI=1S/C6H11NO3/c1-4(2) 5(6(9)10)7-3-8/h3-5H,1-2H 3,(H,7,8)(H,9,10)/t5-/m0/ s1; QBYYLBWFBPAOKU-YFKPBYRVSA-N |
CC(C)C(C(=O)O)NC=O; O=CNC(C(=O)O)C(C)C; CC(C)[CH](NC=O)C(O)=O; CC(C)[C@H](NC=O)C (O)=O; CC(C)[C@@H](C(=O)O)NC=O |
N-formyl-L-valine |
| 21238 |  FVB |
1 | C26 H32 F6 O3 | InChI=1S/C26H32F6O3/c1-3- 19(11-12-20-15-22(33)16-2 3(34)17(20)2)21-10-7-9-18 (14-21)8-5-4-6-13-24(35,2 5(27,28)29)26(30,31)32/h7 ,9-12,14,22-23,33-35H,2-6 ,8,13,15-16H2,1H3/b19-11+ ,20-12-/t22-,23+/m1/s1; MARICLVKOFLLAP-JRJKOMHBSA-N |
CCC(=CC=C1CC(CC(C1=C)O)O)c2cccc(c2)CCCCC C(C(F)(F)F)(C(F)(F)F)O; CC/C(=C\C=C/1\C[ C@H](C[C@@H](C1=C)O)O)/c2cccc(c2)CCCCCC( C(F)(F)F)(C(F)(F)F)O; CCC(=C\C=C1\C[C@@H ](O)C[C@H](O)C1=C)/c2cccc(CCCCCC(O)(C(F) (F)F)C(F)(F)F)c2; CCC(=CC=C1C[CH](O)C[CH ](O)C1=C)c2cccc(CCCCCC(O)(C(F)(F)F)C(F)( F)F)c2 |
(1R,3S,5Z)-4-methylidene-5-[(E)-3-[3-[7,7,7-tris(fluoranyl)-6-oxidanyl-6-(trifluoromethyl)heptyl]phenyl]pent-2-enylidene]cyclohexane-1,3-diol |
| 21239 |  FVC |
2 | C22 H21 B N4 O3 | InChI=1S/C22H21BN4O3/c1-1 3-6-14(4-5-20(13)23(29)30 )19-12-26-21-18(19)8-16(1 1-25-21)15-7-17(10-24-9-1 5)22(28)27(2)3/h4-12,29-3 0H,1-3H3,(H,25,26); MRFQEQSCJZCQMR-UHFFFAOYSA-N |
B(c1ccc(cc1C)c2c[nH]c3c2cc(cn3)c4cc(cnc4 )C(=O)N(C)C)(O)O; CN(C)C(=O)c1cncc(c1)c2 cnc3[nH]cc(c4ccc(B(O)O)c(C)c4)c3c2 |
[4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]boronic acid |
| 21240 |  FVD CHEMBL4205543 |
1 | C25 H29 Cl F N5 | InChI=1S/C25H29ClFN5/c1-1 6-11-18(12-17(2)23(16)27) 15-32-22-14-20(26)13-21(1 9-3-5-28-6-4-19)24(22)30- 25(32)31-9-7-29-8-10-31/h 3,11-14,28-29H,4-10,15H2, 1-2H3; AICGXPKTEXWHDK-UHFFFAOYSA-N |
Cc1cc(Cn2c3cc(Cl)cc(C4=CCNCC4)c3nc2N5CCN CC5)cc(C)c1F; n3(c2cc(cc(C=1CCNCC=1)c2nc 3N4CCNCC4)Cl)Cc5cc(C)c(c(c5)C)F; Cc1cc(c c(c1F)C)Cn2c3cc(cc(c3nc2N4CCNCC4)C5=CCNC C5)Cl |
6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazole |
| 21241 |  FVE |
3 | C23 H40 N4 O10 S2 | InChI=1S/C23H40N4O10S2/c1 -14(2)10-17(20(29)25-18(2 1(30)39(34,35)36)11-15-4- 7-24-19(15)28)26-22(31)37 -16-12-23(13-16)5-8-27(9- 6-23)38(3,32)33/h14-18,21 ,30H,4-13H2,1-3H3,(H,24,2 8)(H,25,29)(H,26,31)(H,34 ,35,36)/t15-,17-,18-,21-/ m0/s1; DXHKTWBJEAVWSD-DBSRCYSRSA-N |
CC(C)C[CH](NC(=O)OC1CC2(CCN(CC2)[S](C)(= O)=O)C1)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O) [S](O)(=O)=O; CC(C)CC(C(=O)NC(CC1CCNC1=O )C(O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3) S(=O)(=O)C; CC(C)C[C@H](NC(=O)OC1CC2(CCN (CC2)[S](C)(=O)=O)C1)C(=O)N[C@@H](C[C@@H ]3CCNC3=O)[C@@H](O)[S](O)(=O)=O; O=C1NCC C1CC(NC(=O)C(CC(C)C)NC(=O)OC1CC2(CCN(CC2 )S(C)(=O)=O)C1)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)OC2CC3(C2)CCN(CC3)S(= O)(=O)C |
(1S,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
| 21242 |  FVF |
1 | C30 H35 N2 O8 P | InChI=1S/C30H35N2O8P/c1-2 1(2)28(41(37,38)40-26(29( 34)35)19-23-14-8-4-9-15-2 3)32-27(33)25(18-22-12-6- 3-7-13-22)31-30(36)39-20- 24-16-10-5-11-17-24/h3-17 ,21,25-26,28H,18-20H2,1-2 H3,(H,31,36)(H,32,33)(H,3 4,35)(H,37,38)/t25-,26-,2 8+/m0/s1; NXIYKBRAJXXOLO-UNCTUWKVSA-N |
CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)O Cc2ccccc2)[P@@](=O)(O)O[C@@H](Cc3ccccc3) C(=O)O; CC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)O Cc2ccccc2)P(=O)(O)OC(Cc3ccccc3)C(=O)O; C C(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC c2ccccc2)[P@](O)(=O)O[C@@H](Cc3ccccc3)C( O)=O; CC(C)[CH](NC(=O)[CH](Cc1ccccc1)NC( =O)OCc2ccccc2)[P](O)(=O)O[CH](Cc3ccccc3) C(O)=O; O=C(O)C(OP(=O)(O)C(NC(=O)C(NC(=O )OCc1ccccc1)Cc2ccccc2)C(C)C)Cc3ccccc3 |
O-((((N-PHENYL-METHOXY-CARBONYL)-PHENYL ALANYL-CARBONYL)AMINO)-ISOBUTYL)HYDROXY PHOSPHINYL)-3-PHENYLACETIC ACID |
| 21243 |  FVG CHEMBL4215257 |
1 | C25 H32 Cl F N6 | InChI=1S/C25H32ClFN6/c1-1 6-10-18(11-17(2)23(16)27) 15-33-22-13-19(26)12-21(3 2-7-3-4-20(32)14-28)24(22 )30-25(33)31-8-5-29-6-9-3 1/h10-13,20,29H,3-9,14-15 ,28H2,1-2H3/t20-/m0/s1; CAPZSPOPEHSYOZ-FQEVSTJZSA-N |
Cc1cc(Cn2c3cc(Cl)cc(N4CCC[C@H]4CN)c3nc2N 5CCNCC5)cc(C)c1F; Cc1cc(Cn2c3cc(Cl)cc(N4 CCC[CH]4CN)c3nc2N5CCNCC5)cc(C)c1F; n4c2c (N1C(CCC1)CN)cc(cc2n(Cc3cc(c(c(C)c3)F)C) c4N5CCNCC5)Cl; Cc1cc(cc(c1F)C)Cn2c3cc(cc (c3nc2N4CCNCC4)N5CCCC5CN)Cl; Cc1cc(cc(c1 F)C)Cn2c3cc(cc(c3nc2N4CCNCC4)N5CCC[C@H]5 CN)Cl |
1-[(2S)-1-{6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazol-4-yl}pyrrolidin-2-yl]methanamine |
| 21244 |  FVH |
5 | C21 H34 N7 O17 P3 | InChI=1S/C21H34N7O17P3/c2 2-17-12-19(25-7-24-17)28( 8-26-12)21-16(44-46(33,34 )35)14(30)11(43-21)6-41-4 8(38,39)45-47(36,37)40-5- 10-13(29)15(31)20(42-10)2 7-3-1-2-9(4-27)18(23)32/h 7-11,13-16,20-21,29-31H,1 -6H2,(H2,23,32)(H,36,37)( H,38,39)(H2,22,24,25)(H2, 33,34,35)/t9-,10-,11-,13- ,14-,15-,16-,20-,21-/m1/s 1; ABXQRXCWDXMXKA-MTKBYBFRSA-N |
NC(=O)[CH]1CCCN(C1)[CH]2O[CH](CO[P](O)(= O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O )=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2 O; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)( O)OP(=O)(O)OCC4C(C(C(O4)N5CCCC(C5)C(=O)N )O)O)O)OP(=O)(O)O)N; NC(=O)[C@@H]1CCCN(C 1)[C@@H]2O[C@H](CO[P](O)(=O)O[P](O)(=O)O C[C@H]3O[C@H]([C@H](O[P](O)(O)=O)[C@@H]3 O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O; c1n c(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H] (O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C @H]([C@@H](O4)N5CCC[C@H](C5)C(=O)N)O)O)O )OP(=O)(O)O)N |
[[(2~{R},3~{S},4~{R},5~{R})-5-[(3~{R})-3-aminocarbonylpiperidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate |
| 21245 |  FVJ CHEMBL4217599 |
1 | C25 H28 Cl F N6 | InChI=1S/C25H28ClFN6/c1-1 4-9-18(10-15(2)23(14)27)1 3-33-21-12-19(26)11-20(22 -16(3)30-31-17(22)4)24(21 )29-25(33)32-7-5-28-6-8-3 2/h9-12,28H,5-8,13H2,1-4H 3,(H,30,31); SVULJAPKAMXBBJ-UHFFFAOYSA-N |
Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CCNCC4) c5c([nH]nc5C)C)Cl; Cc1[nH]nc(C)c1c2cc(Cl )cc3n(Cc4cc(C)c(F)c(C)c4)c(nc23)N5CCNCC5 ; n4c2c(c1c(nnc1C)C)cc(cc2n(Cc3cc(c(c(C) c3)F)C)c4N5CCNCC5)Cl |
6-chloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole |
| 21246 |  FVK ZINC000001532365 |
2 | C16 H25 N3 O5 | InChI=1S/C16H25N3O5/c20-1 3-1-3-15(4-2-13)24-12-14( 21)11-17-5-6-18-16(22)19- 7-9-23-10-8-19/h1-4,14,17 ,20-21H,5-12H2,(H,18,22)/ t14-/m0/s1; DXPOSRCHIDYWHW-AWEZNQCLSA-N |
O[C@@H](CNCCNC(=O)N1CCOCC1)COc2ccc(O)cc2 ; c1cc(ccc1O)OC[C@H](CNCCNC(=O)N2CCOCC2) O; c1cc(ccc1O)OCC(CNCCNC(=O)N2CCOCC2)O; O[CH](CNCCNC(=O)N1CCOCC1)COc2ccc(O)cc2 |
~{N}-[2-[[(2~{S})-2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide |
| 21247 |  FVM CHEMBL4214703 |
1 | C26 H28 Cl F N6 | InChI=1S/C26H28ClFN6/c1-1 4-5-18(6-15(2)23(14)28)9- 34-21-8-19(27)7-20(22-16( 3)31-32-17(22)4)24(21)30- 25(34)33-12-26(13-33)10-2 9-11-26/h5-8,29H,9-13H2,1 -4H3,(H,31,32); WYYRAJGTUGUYGY-UHFFFAOYSA-N |
Cc1[nH]nc(C)c1c2cc(Cl)cc3n(Cc4cc(C)c(F)c (C)c4)c(nc23)N5CC6(CNC6)C5; n4c2c(c1c(C) nnc1C)cc(cc2n(Cc3cc(C)c(c(C)c3)F)c4N6CC5 (CNC5)C6)Cl; Cc1cc(cc(c1F)C)Cn2c3cc(cc(c 3nc2N4CC5(C4)CNC5)c6c([nH]nc6C)C)Cl |
6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-1H-benzimidazole |
| 21248 |  FVN CHEMBL1433762 ZINC000000000856 |
0 | C19 H24 N2 O4 | InChI=1S/C19H24N2O4/c1-13 (9-14-3-6-16(25-2)7-4-14) 20-11-19(24)15-5-8-18(23) 17(10-15)21-12-22/h3-8,10 ,12-13,19-20,23-24H,9,11H 2,1-2H3,(H,21,22)/t13-,19 +/m0/s1; BPZSYCZIITTYBL-ORAYPTAESA-N |
CC(Cc1ccc(cc1)OC)NCC(c2ccc(c(c2)NC=O)O)O ; COc1ccc(C[C@H](C)NC[C@@H](O)c2ccc(O)c( NC=O)c2)cc1; C[C@@H](Cc1ccc(cc1)OC)NC[C@ H](c2ccc(c(c2)NC=O)O)O; COc1ccc(C[CH](C) NC[CH](O)c2ccc(O)c(NC=O)c2)cc1 |
~{N}-[5-[(1~{S})-2-[[(2~{S})-1-(4-methoxyphenyl)propan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanamide |
| 21249 |  FVP |
6 | C42 H64 N6 O20 | InChI=1S/C42H64N6O20/c1-1 8-10-21(11-19(2)29(18)53) 38(60)44-13-24(51)30(54)3 7-28(45-27(52)15-48-14-22 (46-47-48)20-6-4-3-5-7-20 )23(50)12-42(68-37,41(61) 62)64-17-26-31(55)32(56)3 4(58)40(66-26)67-36-25(16 -49)65-39(63-9-8-43)35(59 )33(36)57/h10-11,14,20,23 -26,28,30-37,39-40,49-51, 53-59H,3-9,12-13,15-17,43 H2,1-2H3,(H,44,60)(H,45,5 2)(H,61,62)/t23-,24+,25+, 26+,28+,30+,31-,32-,33+,3 4+,35+,36+,37+,39+,40-,42 +/m0/s1; DQZXNLDRAKHEEK-XCGJJDHASA-N |
Cc1cc(cc(c1O)C)C(=O)NCC(C(C2C(C(CC(O2)(C (=O)O)OCC3C(C(C(C(O3)OC4C(OC(C(C4O)O)OCC N)CO)O)O)O)O)NC(=O)Cn5cc(nn5)C6CCCCC6)O) O; Cc1cc(cc(C)c1O)C(=O)NC[CH](O)[CH](O)[ CH]2O[C](C[CH](O)[CH]2NC(=O)Cn3cc(nn3)C4 CCCCC4)(OC[CH]5O[CH](O[CH]6[CH](O)[CH](O )[CH](OCCN)O[CH]6CO)[CH](O)[CH](O)[CH]5O )C(O)=O; C6CCCC(c5cn(CC(NC2C(C(C(O)CNC(c 1cc(c(c(c1)C)O)C)=O)O)OC(CC2O)(C(O)=O)OC C3C(C(C(C(O3)OC4C(O)C(C(OC4CO)OCCN)O)O)O )O)=O)nn5)C6; Cc1cc(cc(c1O)C)C(=O)NC[C@H ]([C@H]([C@H]2[C@@H]([C@H](C[C@@](O2)(C( =O)O)OC[C@@H]3[C@@H]([C@@H]([C@H]([C@@H] (O3)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O) O)OCCN)CO)O)O)O)O)NC(=O)Cn5cc(nn5)C6CCCC C6)O)O; Cc1cc(cc(C)c1O)C(=O)NC[C@@H](O)[ C@@H](O)[C@@H]2O[C@@](C[C@H](O)[C@H]2NC( =O)Cn3cc(nn3)C4CCCCC4)(OC[C@H]5O[C@@H](O [C@H]6[C@H](O)[C@@H](O)[C@H](OCCN)O[C@@H ]6CO)[C@H](O)[C@@H](O)[C@H]5O)C(O)=O |
2-aminoethyl 5-{[(4-cyclohexyl-1H-1,2,3-triazol-1-yl)acetyl]amino}-3,5,9-trideoxy-9-[(4-hydroxy-3,5-dimethylbenzene-1-carbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside |
| 21250 |  FVQ ZINC000098208907 |
3 | C14 H17 N O6 | InChI=1S/C14H17NO6/c16-8- 10-11(17)12(18)13(19)14(2 1-10)20-6-2-4-9-3-1-5-15- 7-9/h1,3,5,7,10-14,16-19H ,6,8H2/t10-,11-,12+,13+,1 4+/m1/s1; GMPRLXFHQUHVDW-DGTMBMJNSA-N |
OC[C@H]1O[C@H](OCC#Cc2cccnc2)[C@@H](O)[C @@H](O)[C@@H]1O; c1cc(cnc1)C#CCOC2C(C(C( C(O2)CO)O)O)O; C(#Cc1cccnc1)COC2OC(C(O)C (O)C2O)CO; OC[CH]1O[CH](OCC#Cc2cccnc2)[C H](O)[CH](O)[CH]1O; c1cc(cnc1)C#CCO[C@@H ]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
3-(pyridin-3-yl)prop-2-yn-1-yl alpha-D-mannopyranoside; 3-pyridin-3-ylprop-2-yn-1-yl alpha-D-mannopyranoside; D-MANNOSE ALPHA1O-PROPYNYL PYRIDINE; 3-(pyridin-3-yl)prop-2-yn-1-yl alpha-D-mannoside; 3-(pyridin-3-yl)prop-2-yn-1-yl D-mannoside; 3-(pyridin-3-yl)prop-2-yn-1-yl mannoside |
| 21251 |  FVR CHEMBL4449143 |
3 | C26 H29 N5 O2 | InChI=1S/C26H29N5O2/c1-30 -15-20(19-8-10-22(11-9-19 )33-17-18-6-4-3-5-7-18)14 -21(16-30)28-26-29-23-12- 13-27-24(23)25(32)31(26)2 /h3-13,20-21,27H,14-17H2, 1-2H3,(H,28,29)/t20-,21+/ m0/s1; GUFVCUSKHSXTFY-LEWJYISDSA-N |
CN1C[C@@H](C[C@@H](C1)c2ccc(OCc3ccccc3)c c2)NC4=Nc5cc[nH]c5C(=O)N4C; CN1C[CH](C[C H](C1)c2ccc(OCc3ccccc3)cc2)NC4=Nc5cc[nH] c5C(=O)N4C; CN1C[C@H](C[C@H](C1)NC2=Nc3c c[nH]c3C(=O)N2C)c4ccc(cc4)OCc5ccccc5; CN 1CC(CC(C1)NC2=Nc3cc[nH]c3C(=O)N2C)c4ccc( cc4)OCc5ccccc5 |
3-methyl-2-[[(3R,5R)-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one |
| 21252 |  FVS ZINC000003926298 |
1 | C32 H47 F5 O3 S | InChI=1S/C32H47F5O3S/c1-3 0-17-15-26-25-12-11-24(38 )21-23(25)20-22(29(26)27( 30)13-14-28(30)39)10-7-5- 3-2-4-6-8-18-41(40)19-9-1 6-31(33,34)32(35,36)37/h1 1-12,21-22,26-29,38-39H,2 -10,13-20H2,1H3/t22-,26-, 27+,28+,29-,30+,41-/m1/s1; VWUXBMIQPBEWFH-CIAKRVSBSA-N |
C[C]12CC[CH]3[CH]([CH](CCCCCCCCC[S](=O)C CCC(F)(F)C(F)(F)F)Cc4cc(O)ccc34)[CH]1CC[ CH]2O; C[C@]12CC[C@H]3[C@@H]([C@H](CCCCC CCCC[S@@](=O)CCCC(F)(F)C(F)(F)F)Cc4cc(O) ccc34)[C@@H]1CC[C@@H]2O; C[C@]12CC[C@@H] 3c4ccc(cc4C[C@H]([C@H]3[C@@H]1CC[C@@H]2O )CCCCCCCCC[S@@](=O)CCCC(C(F)(F)F)(F)F)O; FC(F)(F)C(F)(F)CCCS(=O)CCCCCCCCCC2Cc1c( ccc(O)c1)C3C2C4C(C)(CC3)C(O)CC4; CC12CCC 3c4ccc(cc4CC(C3C1CCC2O)CCCCCCCCCS(=O)CCC C(C(F)(F)F)(F)F)O |
(7beta,9beta,13alpha,17beta)-7-{9-[(R)-(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17-diol; Fulvestrant |
| 21253 |  FVT CHEMBL601 DB00855 ZINC000003782550 |
1 | C5 H9 N O3 | InChI=1S/C5H9NO3/c6-3-4(7 )1-2-5(8)9/h1-3,6H2,(H,8, 9); ZGXJTSGNIOSYLO-UHFFFAOYSA-N |
C(CC(=O)O)C(=O)CN; NCC(=O)CCC(O)=O | 5-azanyl-4-oxidanylidene-pentanoic acid |
| 21254 |  FVV CHEMBL1624889 ZINC000004334103 |
1 | C17 H16 F N3 | InChI=1S/C17H16FN3/c18-14 -8-6-13(7-9-14)12-21-16-5 -2-1-4-15(16)20-11-3-10-1 9-17(20)21/h1-2,4-9H,3,10 -12H2; LXOFDRFYSDHQTI-UHFFFAOYSA-N |
Fc1ccc(CN2c3ccccc3N4CCCN=C24)cc1; c4(ccc (CN3C=1N(CCCN=1)c2c3cccc2)cc4)F; c1ccc2c (c1)N3CCCN=C3N2Cc4ccc(cc4)F |
10-[(4-fluorophenyl)methyl]-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole |
| 21255 |  FVW CHEMBL4284995 |
1 | C18 H23 F N4 O8 | InChI=1S/C18H23FN4O8/c1-2 3(10-5-7-13(19)20-9-10)14 (24)4-2-3-11(16(27)28)21- 18(31)22-12(17(29)30)6-8- 15(25)26/h5,7,9,11-12H,2- 4,6,8H2,1H3,(H,25,26)(H,2 7,28)(H,29,30)(H2,21,22,3 1)/t11-,12-/m0/s1; UUDMXDXHNXMSOT-RYUDHWBXSA-N |
CN(C(=O)CCC[C@H](NC(=O)N[C@@H](CCC(O)=O) C(O)=O)C(O)=O)c1ccc(F)nc1; CN(c1ccc(nc1) F)C(=O)CCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(= O)O; CN(C(=O)CCC[CH](NC(=O)N[CH](CCC(O)= O)C(O)=O)C(O)=O)c1ccc(F)nc1; CN(c1ccc(nc 1)F)C(=O)CCC[C@@H](C(=O)O)NC(=O)N[C@@H]( CCC(=O)O)C(=O)O |
(2~{S})-2-[[(2~{S})-6-[(6-fluoranylpyridin-3-yl)-methyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid |
| 21256 |  FVX CHEMBL814 DB00176 ZINC000003872605 |
3 | C15 H21 F3 N2 O2 | InChI=1S/C15H21F3N2O2/c1- 21-10-3-2-4-14(20-22-11-9 -19)12-5-7-13(8-6-12)15(1 6,17)18/h5-8H,2-4,9-11,19 H2,1H3/b20-14+; CJOFXWAVKWHTFT-XSFVSMFZSA-N |
COCCCC/C(=N\OCCN)/c1ccc(cc1)C(F)(F)F; CO CCCCC(=NOCCN)c1ccc(cc1)C(F)(F)F; COCCCC\ C(=N/OCCN)c1ccc(cc1)C(F)(F)F; FC(F)(F)c1 ccc(\C(=N\OCCN)CCCCOC)cc1 |
Fluvoxamine; 2-[({(1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene}amino)oxy]ethanamine |
| 21257 |  FVY CHEMBL4203733 |
1 | C16 H15 Cl F N3 | InChI=1S/C16H15ClFN3/c1-9 -5-14-15(6-10(9)2)21(16(1 9)20-14)8-11-3-4-13(18)12 (17)7-11/h3-7H,8H2,1-2H3, (H2,19,20); XXDDSHXUGVBBOJ-UHFFFAOYSA-N |
Cc1cc2c(cc1C)n(c(n2)N)Cc3ccc(c(c3)Cl)F; Cc1cc2nc(N)n(Cc3ccc(F)c(Cl)c3)c2cc1C; c1 c(c(cc2nc(n(c12)Cc3ccc(c(c3)Cl)F)N)C)C |
1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-1H-benzimidazol-2-amine |
| 21258 |  FVZ CHEMBL4291782 |
1 | C18 H22 F N3 O8 | InChI=1S/C18H22FN3O8/c19- 10-4-6-11(7-5-10)20-14(23 )3-1-2-12(16(26)27)21-18( 30)22-13(17(28)29)8-9-15( 24)25/h4-7,12-13H,1-3,8-9 H2,(H,20,23)(H,24,25)(H,2 6,27)(H,28,29)(H2,21,22,3 0)/t12-,13-/m0/s1; CKNIHKIYCHYOOG-STQMWFEESA-N |
OC(=O)CC[C@H](NC(=O)N[C@@H](CCCC(=O)Nc1c cc(F)cc1)C(O)=O)C(O)=O; c1cc(ccc1NC(=O)C CCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)F; c 1cc(ccc1NC(=O)CCC[C@@H](C(=O)O)NC(=O)N[C @@H](CCC(=O)O)C(=O)O)F; OC(=O)CC[CH](NC( =O)N[CH](CCCC(=O)Nc1ccc(F)cc1)C(O)=O)C(O )=O |
(2~{S})-2-[[(2~{S})-6-[(4-fluorophenyl)amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid |
| 21259 |  FW1 |
1 | C23 H36 O6 | InChI=1S/C23H36O6/c1-12(1 0-29-14(3)24)17-8-19(25)2 3(4)9-18-15(11-28-5)6-7-1 6(18)13(2)21(26)22(27)20( 17)23/h9,12-13,15-16,19,2 1-22,25-27H,6-8,10-11H2,1 -5H3/b18-9-/t12-,13-,15-, 16+,19+,21-,22-,23+/m1/s1; JWXDGEQLSBXQMO-FXMNBVRKSA-N |
CC1C2CCC(C2=CC3(C(CC(=C3C(C1O)O)C(C)COC( =O)C)O)C)COC; COC[CH]1CC[CH]2[CH](C)[CH] (O)[CH](O)C3=C(C[CH](O)[C]3(C)C=C12)[CH] (C)COC(C)=O; O=C(OCC(C2=C1C(O)C(O)C(C3C( =CC1(C)C(O)C2)C(CC3)COC)C)C)C; C[C@@H]1[ C@@H]\2CC[C@@H](/C2=C/[C@]3([C@H](CC(=C3 [C@H]([C@@H]1O)O)[C@H](C)COC(=O)C)O)C)CO C; COC[C@H]1CC[C@H]\2[C@@H](C)[C@@H](O)[ C@H](O)C3=C(C[C@H](O)[C@]3(C)\C=C1\2)[C@ H](C)COC(C)=O |
Fusicoccin A aglycone; (2S)-2-[(1S,4R,5R,6R,6aS,9S,9aE,10aR)-1,4,5-trihydroxy-9-(methoxymethyl)-6,10a-dimethyl-1,2,4,5,6,6a,7,8,9,10a-decahydr odicyclopenta[a,d][8]annulen-3-yl]propyl acetate |
| 21260 |  FW2 ZINC000001532571 |
2 | C6 H10 O6 | InChI=1S/C6H10O6/c7-2-5(1 0)3(8)1-4(9)6(11)12/h3,5, 7-8,10H,1-2H2,(H,11,12)/t 3-,5+/m1/s1; WPAMZTWLKIDIOP-WUJLRWPWSA-N |
OC[CH](O)[CH](O)CC(=O)C(O)=O; C([C@H]([C @H](CO)O)O)C(=O)C(=O)O; C(C(C(CO)O)O)C(= O)C(=O)O; OC[C@H](O)[C@H](O)CC(=O)C(O)=O |
L-2-keto-3deoxy-gluconate |
| 21261 |  FW3 |
2 | C27 H28 Cl N3 O2 S2 | InChI=1S/C27H28ClN3O2S2/c 28-25-16-21(6-8-24(25)22- 4-2-1-3-5-22)18-29-13-10- 20-11-14-31(15-12-20)35(3 2,33)23-7-9-26-27(17-23)3 4-19-30-26/h1-9,16-17,19- 20,29H,10-15,18H2; VHVPHPDCJZMZGQ-UHFFFAOYSA-N |
c1ccc(cc1)c2ccc(cc2Cl)CNCCC3CCN(CC3)S(=O )(=O)c4ccc5c(c4)scn5; Clc1cc(CNCCC2CCN(C C2)[S](=O)(=O)c3ccc4ncsc4c3)ccc1c5ccccc5 |
2-[1-(1,3-benzothiazol-6-ylsulfonyl)piperidin-4-yl]-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]ethanamine |
| 21262 |  FW4 CHEMBL4210860 |
1 | C20 H22 Cl F N4 | InChI=1S/C20H22ClFN4/c1-1 3-9-18-19(10-14(13)2)26(1 2-15-3-4-17(22)16(21)11-1 5)20(24-18)25-7-5-23-6-8- 25/h3-4,9-11,23H,5-8,12H2 ,1-2H3; BQDQIRCHYJZDPW-UHFFFAOYSA-N |
Cc1cc2nc(N3CCNCC3)n(Cc4ccc(F)c(Cl)c4)c2c c1C; Cc2cc3n(Cc1cc(Cl)c(cc1)F)c(nc3cc2C) N4CCNCC4; Cc1cc2c(cc1C)n(c(n2)N3CCNCC3)C c4ccc(c(c4)Cl)F |
1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-2-(piperazin-1-yl)-1H-benzimidazole |
| 21263 |  FW5 ZINC000001866958 |
1 | C4 H10 O3 | InChI=1S/C4H10O3/c1-7-3-4 (6)2-5/h4-6H,2-3H2,1H3/t4 -/m0/s1; PSJBSUHYCGQTHZ-BYPYZUCNSA-N |
COCC(CO)O; COC[C@H](CO)O; COC[CH](O)CO; COC[C@@H](O)CO |
(2~{S})-3-methoxypropane-1,2-diol |
| 21264 |  FW6 |
2 | C8 H11 O4 P | InChI=1S/C8H11O4P/c1-2-7- 4-3-5-8(6-7)12-13(9,10)11 /h3-6H,2H2,1H3,(H2,9,10,1 1); IEFUTYQGHXXRLJ-UHFFFAOYSA-N |
CCc1cccc(O[P](O)(O)=O)c1; CCc1cccc(c1)OP (=O)(O)O |
(3-ethylphenyl) dihydrogen phosphate |
| 21265 |  FW7 CHEMBL4217465 |
1 | C18 H17 Cl2 F N4 | InChI=1S/C18H17Cl2FN4/c19 -13-2-4-16-17(10-13)25(11 -12-1-3-15(21)14(20)9-12) 18(23-16)24-7-5-22-6-8-24 /h1-4,9-10,22H,5-8,11H2; JKACBCFXETVIIK-UHFFFAOYSA-N |
c1cc(c(cc1Cn2c3cc(ccc3nc2N4CCNCC4)Cl)Cl) F; Fc1ccc(Cn2c3cc(Cl)ccc3nc2N4CCNCC4)cc1 Cl; c1c(cc(Cl)c(c1)F)Cn3c(nc2ccc(Cl)cc23 )N4CCNCC4 |
6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole |
| 21266 |  FW8 CHEMBL4443468 |
2 | C35 H35 N9 O2 | InChI=1S/C35H35N9O2/c45-3 4-25-10-7-13-28(32(25)30- 14-5-6-18-44(30)34)39-35( 46)40-31-20-22(15-16-36-3 1)29-21-43(42-41-29)19-17 -37-33-23-8-1-3-11-26(23) 38-27-12-4-2-9-24(27)33/h 1,3,7-8,10-11,13,15-16,20 -21,30H,2,4-6,9,12,14,17- 19H2,(H,37,38)(H2,36,39,4 0,46)/t30-/m0/s1; BNBWNJAILLASJW-PMERELPUSA-N |
O=C(Nc1cc(ccn1)c2cn(CCNc3c4CCCCc4nc5cccc c35)nn2)Nc6cccc7C(=O)N8CCCC[CH]8c67; O=C (Nc1cc(ccn1)c2cn(CCNc3c4CCCCc4nc5ccccc35 )nn2)Nc6cccc7C(=O)N8CCCC[C@H]8c67; c1ccc 2c(c1)c(c3c(n2)CCCC3)NCCn4cc(nn4)c5ccnc( c5)NC(=O)Nc6cccc7c6C8CCCCN8C7=O; c1ccc2c (c1)c(c3c(n2)CCCC3)NCCn4cc(nn4)c5ccnc(c5 )NC(=O)Nc6cccc7c6[C@@H]8CCCCN8C7=O |
1-[(10~{b}~{S})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]-3-[4-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pyridin-2-yl]urea |
| 21267 |  FW9 CHEMBL4303671 ZINC000044063027 |
2 | C19 H18 N4 O3 | InChI=1S/C19H18N4O3/c1-24 -14-4-2-3-13(8-14)15-9-18 (23-19(20)22-15)21-10-12- 5-6-16-17(7-12)26-11-25-1 6/h2-9H,10-11H2,1H3,(H3,2 0,21,22,23); FABQUVYDAXWUQP-UHFFFAOYSA-N |
COc1cccc(c1)c2cc(nc(n2)N)NCc3ccc4c(c3)OC O4; COc1cccc(c1)c2cc(NCc3ccc4OCOc4c3)nc( N)n2 |
N4-(1,3-benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine |
| 21268 |  FWA CHEMBL4213025 |
1 | C26 H32 Cl F N6 | InChI=1S/C26H32ClFN6/c1-1 7-8-19(9-18(2)23(17)28)12 -34-22-11-20(27)10-21(32- 6-4-31(3)5-7-32)24(22)30- 25(34)33-15-26(16-33)13-2 9-14-26/h8-11,29H,4-7,12- 16H2,1-3H3; JWZAQUXBYYOGFA-UHFFFAOYSA-N |
N1(CCN(CC1)C)c2cc(Cl)cc6c2nc(N3CC4(C3)CN C4)n6Cc5cc(C)c(c(C)c5)F; Cc1cc(cc(c1F)C) Cn2c3cc(cc(c3nc2N4CC5(C4)CNC5)N6CCN(CC6) C)Cl; CN1CCN(CC1)c2cc(Cl)cc3n(Cc4cc(C)c( F)c(C)c4)c(nc23)N5CC6(CNC6)C5 |
6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole |
| 21269 |  FWB |
1 | C10 H12 F3 N O | InChI=1S/C10H12F3NO/c1-6( 14)2-7-3-8(10(11,12)13)5- 9(15)4-7/h3-6,15H,2,14H2, 1H3/t6-/m0/s1; STNBHVRWYKPOSM-LURJTMIESA-N |
C[C@@H](Cc1cc(cc(c1)O)C(F)(F)F)N; C[C@H] (N)Cc1cc(O)cc(c1)C(F)(F)F; CC(Cc1cc(cc(c 1)O)C(F)(F)F)N; C[CH](N)Cc1cc(O)cc(c1)C( F)(F)F |
3-[(2~{S})-2-azanylpropyl]-5-(trifluoromethyl)phenol |
| 21270 |  FWC ZINC000096077705 |
1 | C29 H43 N8 O17 P3 S | InChI=1S/C29H43N8O17P3S/c 1-29(2,23(40)26(41)33-9-8 -19(38)32-10-11-58-28(42) 16-6-4-5-7-17(16)31-3)13- 51-57(48,49)54-56(46,47)5 0-12-18-22(53-55(43,44)45 )21(39)27(52-18)37-15-36- 20-24(30)34-14-35-25(20)3 7/h4-7,14-15,18,21-23,27, 31,39-40H,8-13H2,1-3H3,(H ,32,38)(H,33,41)(H,46,47) (H,48,49)(H2,30,34,35)(H2 ,43,44,45)/t18-,21-,22-,2 3+,27-/m1/s1; DYCZFHXLKCLDQL-SXQYHYLKSA-N |
CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2 cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O )NCCSC(=O)c4ccccc4NC)O; CNc1ccccc1C(=O)S CCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(= O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O[ P](O)(O)=O)n3cnc4c(N)ncnc34; 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)NCCSC(=O)c4ccccc4NC)O; CNc1c cccc1C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)( C)CO[P](O)(=O)O[P](O)(=O)OC[C@H]2O[C@H]( [C@H](O)[C@@H]2O[P](O)(O)=O)n3cnc4c(N)nc nc34 |
N-Methylanthraniloyl-CoA |
| 21271 |  FWD CHEMBL123132 DB02966 ZINC000002530708 |
17 | C7 H8 F N3 O4 | InChI=1S/C7H8FN3O4/c8-3-1 -11(2-4(9)6(13)14)7(15)10 -5(3)12/h1,4H,2,9H2,(H,13 ,14)(H,10,12,15)/t4-/m0/s 1; DBWPFHJYSTVBCZ-BYPYZUCNSA-N |
O=C(O)C(N)CN1C=C(F)C(=O)NC1=O; N[C@@H](C N1C=C(F)C(=O)NC1=O)C(O)=O; C1=C(C(=O)NC( =O)N1C[C@@H](C(=O)O)N)F; N[CH](CN1C=C(F) C(=O)NC1=O)C(O)=O; C1=C(C(=O)NC(=O)N1CC( C(=O)O)N)F |
2-AMINO-3-(5-FLUORO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID; FLUORO-WILLARDIINE |
| 21272 |  FWE |
2 | C44 H38 N6 O12 | InChI=1S/C44H38N6O12/c1-2 2(20-23-4-14-28(51)15-5-2 3)39(54)46-26-10-6-24(7-1 1-26)41(56)49-33-21-34(45 )50(43(33)58)27-12-8-25(9 -13-27)40(55)47-31-18-16- 29(35(52)37(31)61-2)42(57 )48-32-19-17-30(44(59)60) 36(53)38(32)62-3/h4-21,33 ,51-53H,45H2,1-3H3,(H,46, 54)(H,47,55)(H,48,57)(H,4 9,56)(H,59,60)/b22-20+/t3 3-/m0/s1; VHKFIJVTNPVMBS-QCKJEFJWSA-N |
CC(=Cc1ccc(cc1)O)C(=O)Nc2ccc(cc2)C(=O)NC 3C=C(N(C3=O)c4ccc(cc4)C(=O)Nc5ccc(c(c5OC )O)C(=O)Nc6ccc(c(c6OC)O)C(=O)O)N; COc1c( O)c(ccc1NC(=O)c2ccc(NC(=O)c3ccc(cc3)N4C( =C[CH](NC(=O)c5ccc(NC(=O)C(C)=Cc6ccc(O)c c6)cc5)C4=O)N)c(OC)c2O)C(O)=O; COc1c(O)c (ccc1NC(=O)c2ccc(NC(=O)c3ccc(cc3)N4C(=C[ C@H](NC(=O)c5ccc(NC(=O)C(/C)=C/c6ccc(O)c c6)cc5)C4=O)N)c(OC)c2O)C(O)=O; C/C(=C\c1 ccc(cc1)O)/C(=O)Nc2ccc(cc2)C(=O)N[C@H]3C =C(N(C3=O)c4ccc(cc4)C(=O)Nc5ccc(c(c5OC)O )C(=O)Nc6ccc(c(c6OC)O)C(=O)O)N |
|
| 21273 |  FWF ZINC000098208908 |
38 | C24 H36 N2 O4 S2 | InChI=1S/C24H36N2O4S2/c1- 17(2)31(27,28)25-15-19(5) 21-7-11-23(12-8-21)24-13- 9-22(10-14-24)20(6)16-26- 32(29,30)18(3)4/h7-14,17- 20,25-26H,15-16H2,1-6H3/t 19-,20-/m0/s1; HGLQSTHVRKGLQP-PMACEKPBSA-N |
CC(C)S(=O)(=O)NCC(C)c1ccc(cc1)c2ccc(cc2) C(C)CNS(=O)(=O)C(C)C; CC(C)[S](=O)(=O)NC [CH](C)c1ccc(cc1)c2ccc(cc2)[CH](C)CN[S]( =O)(=O)C(C)C; O=S(=O)(NCC(c2ccc(c1ccc(cc 1)C(CNS(=O)(=O)C(C)C)C)cc2)C)C(C)C; C[C@ @H](CNS(=O)(=O)C(C)C)c1ccc(cc1)c2ccc(cc2 )[C@@H](C)CNS(=O)(=O)C(C)C; CC(C)[S](=O) (=O)NC[C@H](C)c1ccc(cc1)c2ccc(cc2)[C@@H] (C)CN[S](=O)(=O)C(C)C |
N,N'-[biphenyl-4,4'-diyldi(2R)propane-2,1-diyl]dipropane-2-sulfonamide |
| 21274 |  FWG CHEMBL4542419 |
1 | C21 H27 N3 O3 S | InChI=1S/C21H27N3O3S/c25- 21(17-6-3-1-2-4-7-17)23-1 2-14-24(15-13-23)28(26,27 )20-9-5-8-18-16-22-11-10- 19(18)20/h5,8-11,16-17H,1 -4,6-7,12-15H2; BNXUOKAWQPMNQC-UHFFFAOYSA-N |
O=C(C1CCCCCC1)N2CCN(CC2)[S](=O)(=O)c3ccc c4cnccc34; c1cc2cnccc2c(c1)S(=O)(=O)N3CC N(CC3)C(=O)C4CCCCCC4; C1CN(CCN1C(=O)C2CC CCCC2)S(=O)(=O)c4c3ccncc3ccc4 |
cycloheptyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone |
| 21275 |  FWH CHEMBL4584494 |
4 | C25 H20 N2 | InChI=1S/C25H20N2/c1-16-1 4-21(19-8-4-6-10-23(19)26 -16)17(2)18-12-13-25-22(1 5-18)20-9-5-7-11-24(20)27 (25)3/h4-15H,2H2,1,3H3; QFMFGYHKBRNDLH-UHFFFAOYSA-N |
Cc1cc(c2ccccc2n1)C(=C)c3ccc4c(c3)c5ccccc 5n4C; Cn1c2ccccc2c3cc(ccc13)C(=C)c4cc(C) nc5ccccc45 |
9-methyl-3-[1-(2-methylquinolin-4-yl)ethenyl]carbazole |
| 21276 |  FWI |
3 | C23 H38 N4 O10 S | InChI=1S/C23H38N4O10S/c1- 13(2)8-16(26-21(31)36-12- 14-10-27(11-14)22(32)37-2 3(3,4)5)19(29)25-17(20(30 )38(33,34)35)9-15-6-7-24- 18(15)28/h6-7,13-17,20,30 H,8-12H2,1-5H3,(H,24,28)( H,25,29)(H,26,31)(H,33,34 ,35)/t15-,16-,17-,20?/m0/ s1; WDYXMIZDWOFVQK-HTCLRFROSA-N |
CC(C)C[CH](NC(=O)OCC1CN(C1)C(=O)OC(C)(C) C)C(=O)N[CH](C[CH]2C=CNC2=O)[CH](O)[S](O )(=O)=O; CC(C)C[C@H](NC(=O)OCC1CN(C1)C(= O)OC(C)(C)C)C(=O)N[C@@H](C[C@@H]2C=CNC2= O)[C@H](O)[S](O)(=O)=O; CC(C)C[C@@H](C(= O)N[C@@H](C[C@@H]1C=CNC1=O)C(O)S(=O)(=O) O)NC(=O)OCC2CN(C2)C(=O)OC(C)(C)C; CC(C)( C)OC(=O)N1CC(COC(=O)NC(CC(C)C)C(=O)NC(CC 2C=CNC2=O)C(O)S(=O)(=O)O)C1; CC(C)CC(C(= O)NC(CC1C=CNC1=O)C(O)S(=O)(=O)O)NC(=O)OC C2CN(C2)C(=O)OC(C)(C)C |
(1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid |
| 21277 |  FWJ CHEMBL4514261 |
1 | C21 H20 F N3 O3 S | InChI=1S/C21H20FN3O3S/c22 -18-6-4-16(5-7-18)14-21(2 6)24-10-12-25(13-11-24)29 (27,28)20-3-1-2-17-15-23- 9-8-19(17)20/h1-9,15H,10- 14H2; MVUOZWVYTYXUCV-UHFFFAOYSA-N |
c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O) Cc4ccc(cc4)F; Fc1ccc(CC(=O)N2CCN(CC2)[S] (=O)(=O)c3cccc4cnccc34)cc1; C1CN(CCN1C(C c2ccc(F)cc2)=O)S(c4c3ccncc3ccc4)(=O)=O |
2-(4-fluorophenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one |
| 21278 |  FWK |
10 | C11 H15 N5 O3 | InChI=1S/C11H15N5O3/c1-2- 5-7(17)8(18)11(19-5)16-4- 15-6-9(12)13-3-14-10(6)16 /h3-5,7-8,11,17-18H,2H2,1 H3,(H2,12,13,14)/t5-,7-,8 -,11-/m1/s1; RLOSCLOIJYLPHI-IOSLPCCCSA-N |
CC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncn c23; CC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2c nc3c(N)ncnc23; CC[C@@H]1[C@H]([C@H]([C@@ H](O1)n2cnc3c2ncnc3N)O)O; CCC1C(C(C(O1)n 2cnc3c2ncnc3N)O)O |
(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-ethyl-oxolane-3,4-diol |
| 21279 |  FWL |
2 | C10 H13 I N2 O4 | InChI=1S/C10H13IN2O4/c11- 10-5(1-2-8(14)15)6(3-9(16 )17)7(4-12)13-10/h13H,1-4 ,12H2,(H,14,15)(H,16,17); SQCPKOTYDSJOKL-UHFFFAOYSA-N |
NCc1[nH]c(I)c(CCC(O)=O)c1CC(O)=O; C(CC(= O)O)c1c(c([nH]c1I)CN)CC(=O)O |
3-[5-(aminomethyl)-4-(carboxymethyl)-2-iodo-1H-pyrrol-3-yl]propanoic acid; 2-iodoporphobilinogen |
| 21280 |  FWM CHEMBL4513396 |
1 | C21 H27 N3 O3 S | InChI=1S/C21H27N3O3S/c25- 21(15-17-5-2-1-3-6-17)23- 11-13-24(14-12-23)28(26,2 7)20-8-4-7-18-16-22-10-9- 19(18)20/h4,7-10,16-17H,1 -3,5-6,11-15H2; CUMYYEWYWPAOFL-UHFFFAOYSA-N |
C1CN(CCN1C(=O)CC2CCCCC2)S(=O)(=O)c4c3ccn cc3ccc4; O=C(CC1CCCCC1)N2CCN(CC2)[S](=O) (=O)c3cccc4cnccc34; c1cc2cnccc2c(c1)S(=O )(=O)N3CCN(CC3)C(=O)CC4CCCCC4 |
2-cyclohexyl-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one |
| 21281 |  FWN CHEMBL1900144 ZINC000002041050 |
2 | C8 H18 O4 | InChI=1S/C8H18O4/c1-2-10- 5-6-12-8-7-11-4-3-9/h9H,2 -8H2,1H3; WFSMVVDJSNMRAR-UHFFFAOYSA-N |
CCOCCOCCOCCO | 2-[2-(2-ethoxyethoxy)ethoxy]ethanol |
| 21282 |  FWO ZINC000002522597 |
4 | C10 H18 N2 O5 | InChI=1S/C10H18N2O5/c1-5( 2)3-7(10(16)17)12-8(13)4- 6(11)9(14)15/h5-7H,3-4,11 H2,1-2H3,(H,12,13)(H,14,1 5)(H,16,17)/t6-,7-/m0/s1; IYJILWQAFPUBHP-BQBZGAKWSA-N |
CC(C)CC(C(=O)O)NC(=O)CC(C(=O)O)N; CC(C)C [C@@H](C(=O)O)NC(=O)C[C@@H](C(=O)O)N; CC (C)C[CH](NC(=O)C[CH](N)C(O)=O)C(O)=O; CC (C)C[C@H](NC(=O)C[C@H](N)C(O)=O)C(O)=O |
(2S)-2-[[(3S)-3-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid |
| 21283 |  FWP CHEMBL4467164 |
1 | C23 H25 N3 O5 S | InChI=1S/C23H25N3O5S/c1-3 0-19-7-6-17(21(15-19)31-2 )14-23(27)25-10-12-26(13- 11-25)32(28,29)22-5-3-4-1 8-16-24-9-8-20(18)22/h3-9 ,15-16H,10-14H2,1-2H3; MEHDVSZDAVOOKI-UHFFFAOYSA-N |
COc1ccc(CC(=O)N2CCN(CC2)[S](=O)(=O)c3ccc c4cnccc34)c(OC)c1; COc1ccc(c(c1)OC)CC(=O )N2CCN(CC2)S(=O)(=O)c3cccc4c3ccnc4; C1CN (CCN1C(Cc2c(cc(OC)cc2)OC)=O)S(=O)(=O)c4c 3ccncc3ccc4 |
2-(2,4-dimethoxyphenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one |
| 21284 |  FWQ |
7 | C42 H30 O24 S6 | InChI=1S/C42H36O24S6/c43- 37-19-1-20-8-32(68(52,53) 54)10-22(38(20)44)3-24-12 -34(70(58,59)60)14-26(40( 24)46)5-28-16-36(72(64,65 )66)18-30(42(28)48)6-29-1 7-35(71(61,62)63)15-27(41 (29)47)4-25-13-33(69(55,5 6)57)11-23(39(25)45)2-21( 37)9-31(7-19)67(49,50)51/ h7-18,43-48H,1-6H2,(H,49, 50,51)(H,52,53,54)(H,55,5 6,57)(H,58,59,60)(H,61,62 ,63)(H,64,65,66)/p-6; BXOUPTJVBGEDIR-UHFFFAOYSA-H |
Oc1c2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc6cc(cc (Cc7cc(cc(Cc1cc(c2)[S]([O-])(=O)=O)c7O)[ S]([O-])(=O)=O)c6O)[S]([O-])(=O)=O)c5O)[ S]([O-])(=O)=O)c4O)[S]([O-])(=O)=O)c3O)[ S]([O-])(=O)=O; c1c(cc2c(c1Cc3cc(cc(c3O) Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)C c7cc(cc(c7O)C2)S(=O)(=O)[O-])S(=O)(=O)[O -])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O) [O-])O)S(=O)(=O)[O-] |
p-sulfonatocalix[6]arene |
| 21285 |  FWR CHEMBL5185177 |
1 | C15 H21 N3 O S | InChI=1S/C15H21N3OS/c1-4- 11-14(10(3)19)9(2)17-15(1 1)12-8-20-13(18-12)6-5-7- 16/h8,17H,4-7,16H2,1-3H3; BNBLIFSAGIHMCH-UHFFFAOYSA-N |
CCc1c(c([nH]c1c2csc(n2)CCCN)C)C(=O)C; CC c1c([nH]c(C)c1C(C)=O)c2csc(CCCN)n2 |
1-[5-[2-(3-azanylpropyl)-1,3-thiazol-4-yl]-4-ethyl-2-methyl-1~{H}-pyrrol-3-yl]ethanone |
| 21286 |  FWS |
1 | C22 H22 N4 O5 S | InChI=1S/C22H22N4O5S/c1-1 5-13-25(32(28,29)21-4-2-3 -16-12-23-8-7-18(16)21)9- 10-26(15)22(27)24-17-5-6- 19-20(11-17)31-14-30-19/h 2-8,11-12,15H,9-10,13-14H 2,1H3,(H,24,27)/t15-/m0/s 1; JSXIXDYOQGCEHK-HNNXBMFYSA-N |
c15OCOc1ccc(NC(N2C(C)CN(CC2)S(c4c3ccncc3 ccc4)(=O)=O)=O)c5; C[C@H]1CN(CCN1C(=O)Nc 2ccc3OCOc3c2)[S](=O)(=O)c4cccc5cnccc45; C[CH]1CN(CCN1C(=O)Nc2ccc3OCOc3c2)[S](=O) (=O)c4cccc5cnccc45; C[C@H]1CN(CCN1C(=O)N c2ccc3c(c2)OCO3)S(=O)(=O)c4cccc5c4ccnc5; CC1CN(CCN1C(=O)Nc2ccc3c(c2)OCO3)S(=O)(= O)c4cccc5c4ccnc5 |
(2S)-N-(2H-1,3-benzodioxol-5-yl)-4-[(isoquinolin-5-yl)sulfonyl]-2-methylpiperazine-1-carboxamide |
| 21287 |  FWT |
0 | C56 H40 O32 S8 | InChI=1S/C56H48O32S8/c57- 49-25-1-26-10-42(90(68,69 )70)12-28(50(26)58)3-30-1 4-44(92(74,75)76)16-32(52 (30)60)5-34-18-46(94(80,8 1)82)20-36(54(34)62)7-38- 22-48(96(86,87)88)24-40(5 6(38)64)8-39-23-47(95(83, 84)85)21-37(55(39)63)6-35 -19-45(93(77,78)79)17-33( 53(35)61)4-31-15-43(91(71 ,72)73)13-29(51(31)59)2-2 7(49)11-41(9-25)89(65,66) 67/h9-24,57-64H,1-8H2,(H, 65,66,67)(H,68,69,70)(H,7 1,72,73)(H,74,75,76)(H,77 ,78,79)(H,80,81,82)(H,83, 84,85)(H,86,87,88)/p-8; KCEGJGDGMRAJEP-UHFFFAOYSA-F |
Oc1c2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc6cc(cc (Cc7cc(cc(Cc8cc(cc(Cc9cc(cc(Cc1cc(c2)[S] ([O-])(=O)=O)c9O)[S]([O-])(=O)=O)c8O)[S] ([O-])(=O)=O)c7O)[S]([O-])(=O)=O)c6O)[S] ([O-])(=O)=O)c5O)[S]([O-])(=O)=O)c4O)[S] ([O-])(=O)=O)c3O)[S]([O-])(=O)=O; c1c(cc 2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc( c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c 8O)Cc9cc(cc(c9O)C2)S(=O)(=O)[O-])S(=O)(= O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O) (=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])O)S (=O)(=O)[O-] |
p-sulfonatocalix[8]arene |
| 21288 |  FWU |
2 | C27 H28 Cl N3 O2 S | InChI=1S/C27H28ClN3O2S/c2 8-26-18-21(12-13-24(26)22 -8-3-1-4-9-22)19-29-15-5- 2-6-16-31-34(32,33)27-11- 7-10-23-20-30-17-14-25(23 )27/h1,3-4,7-14,17-18,20, 29,31H,2,5-6,15-16,19H2; SPGSRHRSSFONGK-UHFFFAOYSA-N |
Clc1cc(CNCCCCCN[S](=O)(=O)c2cccc3cnccc23 )ccc1c4ccccc4; c1ccc(cc1)c2ccc(cc2Cl)CNC CCCCNS(=O)(=O)c3cccc4c3ccnc4 |
~{N}-[5-[(3-chloranyl-4-phenyl-phenyl)methylamino]pentyl]isoquinoline-5-sulfonamide |
| 21289 |  FWV CHEMBL4472495 |
1 | C20 H18 Cl2 N4 O3 S | InChI=1S/C20H18Cl2N4O3S/c 21-16-4-2-5-17(19(16)22)2 4-20(27)25-9-11-26(12-10- 25)30(28,29)18-6-1-3-14-1 3-23-8-7-15(14)18/h1-8,13 H,9-12H2,(H,24,27); OPIJBEYHDBKGKX-UHFFFAOYSA-N |
Clc1cccc(NC(=O)N2CCN(CC2)[S](=O)(=O)c3cc cc4cnccc34)c1Cl; c1cc2cnccc2c(c1)S(=O)(= O)N3CCN(CC3)C(=O)Nc4cccc(c4Cl)Cl; C(=O)( Nc1cccc(Cl)c1Cl)N2CCN(CC2)S(c4c3ccncc3cc c4)(=O)=O |
N-(2,3-dichlorophenyl)-4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carboxamide |
| 21290 |  FWW |
2 | C44 H37 N5 O13 | InChI=1S/C44H37N5O13/c1-2 2(20-23-4-14-28(50)15-5-2 3)39(54)45-26-10-6-24(7-1 1-26)41(56)48-33-21-34(51 )49(43(33)58)27-12-8-25(9 -13-27)40(55)46-31-18-16- 29(35(52)37(31)61-2)42(57 )47-32-19-17-30(44(59)60) 36(53)38(32)62-3/h4-20,33 ,50,52-53H,21H2,1-3H3,(H, 45,54)(H,46,55)(H,47,57)( H,48,56)(H,59,60)/b22-20+ /t33-/m0/s1; XOWPHBSEUBUKBU-QCKJEFJWSA-N |
COc1c(O)c(ccc1NC(=O)c2ccc(NC(=O)c3ccc(cc 3)N4C(=O)C[CH](NC(=O)c5ccc(NC(=O)C(C)=Cc 6ccc(O)cc6)cc5)C4=O)c(OC)c2O)C(O)=O; COc 1c(O)c(ccc1NC(=O)c2ccc(NC(=O)c3ccc(cc3)N 4C(=O)C[C@H](NC(=O)c5ccc(NC(=O)C(/C)=C/c 6ccc(O)cc6)cc5)C4=O)c(OC)c2O)C(O)=O; CC( =Cc1ccc(cc1)O)C(=O)Nc2ccc(cc2)C(=O)NC3CC (=O)N(C3=O)c4ccc(cc4)C(=O)Nc5ccc(c(c5OC) O)C(=O)Nc6ccc(c(c6OC)O)C(=O)O; C/C(=C\c1 ccc(cc1)O)/C(=O)Nc2ccc(cc2)C(=O)N[C@H]3C C(=O)N(C3=O)c4ccc(cc4)C(=O)Nc5ccc(c(c5OC )O)C(=O)Nc6ccc(c(c6OC)O)C(=O)O |
|
| 21291 |  FWX CHEMBL2331646 ZINC000095588443 |
2 | C22 H29 N5 O2 | InChI=1S/C22H29N5O2/c1-4- 24-22-25-18-11-12-27(13-1 7(18)20(26-22)21(23)29)19 (28)10-7-15-5-8-16(9-6-15 )14(2)3/h5-6,8-9,14H,4,7, 10-13H2,1-3H3,(H2,23,29)( H,24,25,26); BXJNYBTXBRHAEU-UHFFFAOYSA-N |
CCNc1nc2c(c(n1)C(=O)N)CN(CC2)C(=O)CCc3cc c(cc3)C(C)C; CCNc1nc2CCN(Cc2c(n1)C(N)=O) C(=O)CCc3ccc(cc3)C(C)C |
2-(ethylamino)-6-[3-(4-propan-2-ylphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide |
| 21292 |  FWY |
1 | C20 H19 N4 O5 S | InChI=1S/C20H19N4O5S/c25- 20(15-3-1-5-17(13-15)24(2 6)27)22-9-11-23(12-10-22) 30(28,29)19-6-2-4-16-14-2 1-8-7-18(16)19/h1-8,13-14 H,9-12H2,(H,26,27)/q+1; JQYQEKDPLZLZII-UHFFFAOYSA-N |
O[N+](=O)c1cccc(c1)C(=O)N2CCN(CC2)[S](=O )(=O)c3cccc4cnccc34; c1cc(cc(c1)[N+](=O) O)C(=O)N2CCN(CC2)S(=O)(=O)c3cccc4c3ccnc4 ; C(N1CCN(CC1)S(c2cccc3c2ccnc3)(=O)=O)(c 4cccc([N+](O)=O)c4)=O |
hydroxy(3-{4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carbonyl}phenyl)oxoammonium |
| 21293 |  FWZ CHEMBL4755293 |
12 | C49 H58 F N9 O6 S | InChI=1S/C49H58FN9O6S/c1- 30-42(66-29-53-30)33-13-1 4-34(26-52-45(62)39-24-35 (60)28-59(39)46(63)43(48( 2,3)4)54-47(64)49(50)16-1 7-49)41(23-33)65-22-15-31 -9-11-32(12-10-31)27-57-1 8-20-58(21-19-57)38-25-37 (55-56-44(38)51)36-7-5-6- 8-40(36)61/h5-14,23,25,29 ,35,39,43,60-61H,15-22,24 ,26-28H2,1-4H3,(H2,51,56) (H,52,62)(H,54,64)/t35-,3 9+,43-/m1/s1; UTZVLJZPTDCKCT-XBPZXCMESA-N |
Cc1ncsc1c2ccc(CNC(=O)[CH]3C[CH](O)CN3C(= O)[CH](NC(=O)C4(F)CC4)C(C)(C)C)c(OCCc5cc c(CN6CCN(CC6)c7cc(nnc7N)c8ccccc8O)cc5)c2 ; Cc1ncsc1c2ccc(CNC(=O)[C@@H]3C[C@@H](O) CN3C(=O)[C@@H](NC(=O)C4(F)CC4)C(C)(C)C)c (OCCc5ccc(CN6CCN(CC6)c7cc(nnc7N)c8ccccc8 O)cc5)c2; Cc1c(scn1)c2ccc(c(c2)OCCc3ccc( cc3)CN4CCN(CC4)c5cc(nnc5N)c6ccccc6O)CNC( =O)C7CC(CN7C(=O)C(C(C)(C)C)NC(=O)C8(CC8) F)O; Cc1c(scn1)c2ccc(c(c2)OCCc3ccc(cc3)C N4CCN(CC4)c5cc(nnc5N)c6ccccc6O)CNC(=O)[C @@H]7C[C@H](CN7C(=O)[C@H](C(C)(C)C)NC(=O )C8(CC8)F)O |
(2~{S},4~{R})-~{N}-[[2-[2-[4-[[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]phenyl]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
| 21294 |  FX0 CHEMBL567640 ZINC000043207363 |
2 | C27 H46 O5 | InChI=1S/C27H46O5/c1-6-17 -20-12-16(28)9-10-26(20,4 )21-13-22(29)27(5)18(14(2 )11-15(3)25(31)32)7-8-19( 27)23(21)24(17)30/h14-24, 28-30H,6-13H2,1-5H3,(H,31 ,32)/t14-,15+,16-,17-,18- ,19+,20+,21+,22+,23+,24-, 26+,27-/m1/s1; NPBCMXATLRCCLF-IRRLEISYSA-N |
CCC1C2CC(CCC2(C3CC(C4(C(C3C1O)CCC4C(C)CC (C)C(=O)O)C)O)C)O; CC[C@H]1[C@@H](O)[C@H ]2[C@@H]3CC[C@H]([C@H](C)C[C@H](C)C(O)=O )[C@@]3(C)[C@@H](O)C[C@@H]2[C@@]4(C)CC[C @@H](O)C[C@@H]14; CC[C@@H]1[C@@H]2C[C@@H ](CC[C@@]2([C@H]3C[C@@H]([C@]4([C@H]([C@ @H]3[C@@H]1O)CC[C@@H]4[C@H](C)C[C@H](C)C (=O)O)C)O)C)O; CC[CH]1[CH](O)[CH]2[CH]3C C[CH]([CH](C)C[CH](C)C(O)=O)[C]3(C)[CH]( O)C[CH]2[C]4(C)CC[CH](O)C[CH]14 |
(2S,4R)-4-[(3R,5S,6R,7R,8R,9S,10S,12S,13R,14S,17R)-6-ethyl-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-pentanoic acid |
| 21295 |  FX1 ZINC000058631711 |
1 | C6 H10 O6 | InChI=1S/C6H10O6/c7-1-3-4 (9)5(10)6(11,2-8)12-3/h3, 5,7-8,10-11H,1-2H2/t3-,5+ ,6-/m1/s1; LAWYCIPOFYQBDZ-PQLUHFTBSA-N |
OC[CH]1O[C](O)(CO)[CH](O)C1=O; C([C@@H]1 C(=O)[C@@H]([C@](O1)(CO)O)O)O; OC[C@H]1O [C@](O)(CO)[C@@H](O)C1=O; C(C1C(=O)C(C(O 1)(CO)O)O)O |
beta-D-threo-hexo-2,4-diulo-2,5-furanose; beta-D-threo-hexo-2,4-diulo-2,5-se; D-threo-hexo-2,4-diulo-2,5-se; threo-hexo-2,4-diulo-2,5-se |
| 21296 |  FX2 |
1 | C22 H18 F3 N3 O3 | InChI=1S/C22H18F3N3O3/c1- 13-20(27-19-9-17(30-2)7-8 -18(19)21(13)29)15-10-26- 28(12-15)11-14-3-5-16(6-4 -14)31-22(23,24)25/h3-10, 12-13H,11H2,1-2H3/t13-/m0 /s1; MHUJCWZTTGWJRK-ZDUSSCGKSA-N |
COc1ccc2C(=O)[C@@H](C)C(=Nc2c1)c3cnn(Cc4 ccc(OC(F)(F)F)cc4)c3; CC1C(=O)c2ccc(cc2N =C1c3cnn(c3)Cc4ccc(cc4)OC(F)(F)F)OC; COc 1ccc2C(=O)[CH](C)C(=Nc2c1)c3cnn(Cc4ccc(O C(F)(F)F)cc4)c3 |
7-methoxy-3-methyl-2-[1-[[4-(trifluoromethyloxy)phenyl]methyl]pyrazol-4-yl]-3~{H}-quinolin-4-one |
| 21297 |  FX3 ZINC000058638356 |
1 | C15 H18 O8 | InChI=1S/C15H18O8/c1-21-1 0-6-8(2-4-9(10)16)3-5-12( 17)22-7-11-13(18)14(19)15 (20)23-11/h2-6,11,13-16,1 8-20H,7H2,1H3/b5-3+/t11-, 13-,14-,15+/m0/s1; BDEXCUQHBTVULQ-NNDRJBMQSA-N |
O=C(OCC1OC(O)C(O)C1O)\C=C\c2ccc(O)c(OC)c 2; COc1cc(ccc1O)C=CC(=O)OCC2C(C(C(O2)O)O )O; COc1cc(C=CC(=O)OC[CH]2O[CH](O)[CH](O )[CH]2O)ccc1O; COc1cc(/C=C/C(=O)OC[C@@H] 2O[C@@H](O)[C@@H](O)[C@H]2O)ccc1O; COc1c c(ccc1O)\C=C\C(=O)OC[C@H]2[C@@H]([C@@H]( [C@@H](O2)O)O)O |
5-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-alpha-L-ribofuranose |
| 21298 |  FX4 CHEMBL396176 ZINC000028822569 |
1 | C15 H13 N O8 S | InChI=1S/C15H13NO8S/c1-23 -9-3-2-8(4-10(9)24-7-13(1 9)20)5-11-14(21)16(6-12(1 7)18)15(22)25-11/h2-5H,6- 7H2,1H3,(H,17,18)(H,19,20 )/b11-5-; DLKPSHJFPIKYCB-WZUFQYTHSA-N |
O=C(O)CN1C(=O)C(\SC1=O)=C\c2ccc(OC)c(OCC (=O)O)c2; COc1ccc(cc1OCC(=O)O)C=C2C(=O)N (C(=O)S2)CC(=O)O; COc1ccc(cc1OCC(O)=O)C= C2SC(=O)N(CC(O)=O)C2=O; COc1ccc(cc1OCC(= O)O)\C=C/2\C(=O)N(C(=O)S2)CC(=O)O; COc1c cc(cc1OCC(O)=O)\C=C2/SC(=O)N(CC(O)=O)C2= O |
[(5Z)-5-{[3-(carboxymethoxy)-4-methoxyphenyl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid; [5-(3-carboxymethoxy-4-methoxybenzylidene)-2,4-dioxothiazolidin-3-yl]acetic acid |
| 21299 |  FX5 |
6 | C14 H18 N5 O | InChI=1S/C14H17N5O/c15-14 -12(19-7-5-16-6-8-19)9-11 (17-18-14)10-3-1-2-4-13(1 0)20/h1-4,9,16,20H,5-8H2, (H2,15,18)/p+1; SZKHGLTYXIDOFH-UHFFFAOYSA-O |
Nc1nnc(cc1N2CC[NH2+]CC2)c3ccccc3O; c1ccc (c(c1)c2cc(c(nn2)N)N3CC[NH2+]CC3)O |
2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol |
| 21300 |  FX6 ZINC000000281022 |
2 | C9 H11 N5 O2 S | InChI=1S/C9H11N5O2S/c1-2- 4(8(15)16)17-9-13-5-6(10) 11-3-12-7(5)14-9/h3-4H,2H 2,1H3,(H,15,16)(H3,10,11, 12,13,14)/t4-/m0/s1; USXGXECUDHKQHW-BYPYZUCNSA-N |
CC[C@@H](C(=O)O)Sc1[nH]c2c(n1)c(ncn2)N; CC[CH](Sc1[nH]c2ncnc(N)c2n1)C(O)=O; CCC( C(=O)O)Sc1[nH]c2c(n1)c(ncn2)N; CC[C@H](S c1[nH]c2ncnc(N)c2n1)C(O)=O |
(2S)-2-[(6-azanyl-9H-purin-8-yl)sulfanyl]butanoic acid |
| 21301 |  FX7 |
4 | C22 H24 Br2 N2 O5 | InChI=1S/C22H24Br2N2O5/c1 -2-3-4-5-6-11-20(27)31-21 -15(12-16(23)13-18(21)24) 14-25-22(28)17-9-7-8-10-1 9(17)26(29)30/h7-10,12-13 H,2-6,11,14H2,1H3,(H,25,2 8); NDEWIQZBBTYPHA-UHFFFAOYSA-N |
C(CCC)CCCC(Oc1c(Br)cc(Br)cc1CNC(c2ccccc2 [N+]([O-])=O)=O)=O; CCCCCCCC(=O)Oc1c(cc( cc1Br)Br)CNC(=O)c2ccccc2[N+](=O)[O-]; CC CCCCCC(=O)Oc1c(Br)cc(Br)cc1CNC(=O)c2cccc c2[N+]([O-])=O |
2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl octanoate |
| 21302 |  FX8 |
4 | C46 H60 F N9 O8 S | InChI=1S/C46H60FN9O8S/c1- 29-39(65-28-50-29)30-9-10 -31(26-49-42(59)36-24-32( 57)27-56(36)43(60)40(45(2 ,3)4)51-44(61)46(47)11-12 -46)38(23-30)64-22-21-63- 20-19-62-18-17-54-13-15-5 5(16-14-54)35-25-34(52-53 -41(35)48)33-7-5-6-8-37(3 3)58/h5-10,23,25,28,32,36 ,40,57-58H,11-22,24,26-27 H2,1-4H3,(H2,48,53)(H,49, 59)(H,51,61)/t32-,36+,40- /m1/s1; QCULBRPVCWJUKY-OUMVKTTMSA-N |
Cc1c(scn1)c2ccc(c(c2)OCCOCCOCCN3CCN(CC3) c4cc(nnc4N)c5ccccc5O)CNC(=O)C6CC(CN6C(=O )C(C(C)(C)C)NC(=O)C7(CC7)F)O; Cc1c(scn1) c2ccc(c(c2)OCCOCCOCCN3CCN(CC3)c4cc(nnc4N )c5ccccc5O)CNC(=O)[C@@H]6C[C@H](CN6C(=O) [C@H](C(C)(C)C)NC(=O)C7(CC7)F)O; Cc1ncsc 1c2ccc(CNC(=O)[CH]3C[CH](O)CN3C(=O)[CH]( NC(=O)C4(F)CC4)C(C)(C)C)c(OCCOCCOCCN5CCN (CC5)c6cc(nnc6N)c7ccccc7O)c2; Cc1ncsc1c2 ccc(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@ H](NC(=O)C4(F)CC4)C(C)(C)C)c(OCCOCCOCCN5 CCN(CC5)c6cc(nnc6N)c7ccccc7O)c2 |
(2~{S},4~{R})-~{N}-[[2-[2-[2-[2-[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
| 21303 |  FX9 CHEMBL4247645 ZINC000002170205 |
1 | C10 H10 F3 N O2 | InChI=1S/C10H10F3NO2/c11- 10(12,13)7-3-1-2-6(4-7)5- 8(14)9(15)16/h1-4,8H,5,14 H2,(H,15,16)/t8-/m0/s1; BURBNIPKSRJAIQ-QMMMGPOBSA-N |
N[C@@H](Cc1cccc(c1)C(F)(F)F)C(O)=O; c1cc (cc(c1)C(F)(F)F)CC(C(=O)O)N; N[CH](Cc1cc cc(c1)C(F)(F)F)C(O)=O; c1cc(cc(c1)C(F)(F )F)C[C@@H](C(=O)O)N |
(2S)-2-azanyl-3-[3-(trifluoromethyl)phenyl]propanoic acid |
| 21304 |  FXA CHEMBL402761 DB07800 ZINC000024974122 |
1 | C23 H17 Cl N4 O4 S | InChI=1S/C23H17ClN4O4S/c2 4-17-10-13-21(25-15-17)27 -33(31,32)20-6-2-1-5-19(2 0)26-23(30)16-8-11-18(12- 9-16)28-14-4-3-7-22(28)29 /h1-15H,(H,25,27)(H,26,30 ); MIJGLXFQYBTIFY-UHFFFAOYSA-N |
c1ccc(c(c1)NC(=O)c2ccc(cc2)N3C=CC=CC3=O) S(=O)(=O)Nc4ccc(cn4)Cl; Clc1ccc(N[S](=O) (=O)c2ccccc2NC(=O)c3ccc(cc3)N4C=CC=CC4=O )nc1; Clc1ccc(nc1)NS(=O)(=O)c2ccccc2NC(= O)c3ccc(cc3)N4C=CC=CC4=O |
N-(2-(((5-CHLORO-2-PYRIDINYL)AMINO)SULFONYL)PHENYL)-4-(2-OXO-1(2H)-PYRIDINYL)BENZAMIDE; N-{2-[(5-chloropyridin-2-yl)sulfamoyl]phenyl}-4-(2-oxopyridin-1(2H)-yl)benzamide |
| 21305 |  FXB |
5 | C21 H21 N O3 | InChI=1S/C21H21NO3/c1-4-1 1-25-16-10-5-7-13-17(16)2 0-19(21(13)24)18-14(22(20 )12(2)3)8-6-9-15(18)23/h4 -5,7,10,12H,1,6,8-9,11H2, 2-3H3; SPPQIWGQWJYZTO-UHFFFAOYSA-N |
CC(C)n1c2c(c3c1-c4c(cccc4OCC=C)C3=O)C(=O )CCC2; CC(C)n1c2CCCC(=O)c2c3C(=O)c4cccc( OCC=C)c4c13 |
5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione |
| 21306 |  FXC ZINC000002170206 |
1 | C10 H10 F3 N O2 | InChI=1S/C10H10F3NO2/c11- 10(12,13)7-3-1-2-6(4-7)5- 8(14)9(15)16/h1-4,8H,5,14 H2,(H,15,16)/t8-/m1/s1; BURBNIPKSRJAIQ-MRVPVSSYSA-N |
c1cc(cc(c1)C(F)(F)F)C[C@H](C(=O)O)N; c1c c(cc(c1)C(F)(F)F)CC(C(=O)O)N; N[C@H](Cc1 cccc(c1)C(F)(F)F)C(O)=O; N[CH](Cc1cccc(c 1)C(F)(F)F)C(O)=O |
(2R)-2-azanyl-3-[3-(trifluoromethyl)phenyl]propanoic acid |
| 21307 |  FXD |
8 | C21 H14 Br2 N2 O5 | InChI=1S/C21H14Br2N2O5/c2 2-15-10-14(12-24-20(26)16 -8-4-5-9-18(16)25(28)29)1 9(17(23)11-15)30-21(27)13 -6-2-1-3-7-13/h1-11H,12H2 ,(H,24,26); TYMXZAAQZPJROA-UHFFFAOYSA-N |
[N+]([O-])(c1ccccc1C(=O)NCc2c(c(cc(c2)Br )Br)OC(=O)c3ccccc3)=O; c1ccc(cc1)C(=O)Oc 2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O -]; [O-][N+](=O)c1ccccc1C(=O)NCc2cc(Br)c c(Br)c2OC(=O)c3ccccc3 |
2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl benzoate |
| 21308 |  FXE CHEMBL1323288 ZINC000000147646 |
4 | C17 H18 N4 O3 | InChI=1S/C17H18N4O3/c1-21 -12-8-6-10-14(24-3)15(12) 16(20-21)19-17(22)18-11-7 -4-5-9-13(11)23-2/h4-10H, 1-3H3,(H2,18,19,20,22); JTBMRDKIPGSWTG-UHFFFAOYSA-N |
Cn1c2cccc(c2c(n1)NC(=O)Nc3ccccc3OC)OC; C Oc1ccccc1NC(=O)Nc2nn(C)c3cccc(OC)c23; O= C(Nc1ccccc1OC)Nc3nn(c2cccc(OC)c23)C |
1-(4-methoxy-1-methyl-indazol-3-yl)-3-(2-methoxyphenyl)urea |
| 21309 |  FXF ZINC000003679861 |
1 | C9 H10 Br N O2 | InChI=1S/C9H10BrNO2/c10-7 -3-1-2-6(4-7)5-8(11)9(12) 13/h1-4,8H,5,11H2,(H,12,1 3)/t8-/m1/s1; GDMOHOYNMWWBAU-MRVPVSSYSA-N |
N[C@H](Cc1cccc(Br)c1)C(O)=O; c1cc(cc(c1) Br)C[C@H](C(=O)O)N; c1cc(cc(c1)Br)CC(C(= O)O)N; N[CH](Cc1cccc(Br)c1)C(O)=O |
(2R)-2-azanyl-3-(3-bromophenyl)propanoic acid |
| 21310 |  FXG CHEMBL521105 DB07801 ZINC000040933824 |
1 | C22 H29 N7 O2 | InChI=1S/C22H29N7O2/c1-2- 3-11-24-22(31)16-8-7-9-17 (13-16)29-18(30)10-5-4-6- 12-23-20-19-21(26-14-25-1 9)28-15-27-20/h7-9,13-15H ,2-6,10-12H2,1H3,(H,24,31 )(H,29,30)(H2,23,25,26,27 ,28); WOYITRCGMUXUDE-UHFFFAOYSA-N |
O=C(NCCCC)c1cc(ccc1)NC(=O)CCCCCNc3ncnc2c 3ncn2; CCCCNC(=O)c1cccc(NC(=O)CCCCCNc2nc nc3[nH]cnc23)c1; CCCCNC(=O)c1cccc(c1)NC( =O)CCCCCNc2c3c([nH]cn3)ncn2 |
N-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamide |
| 21311 |  FXH CHEMBL1368771 ZINC000000129301 |
1 | C13 H15 N O | InChI=1S/C13H15NO/c1-14(2 )9-12-11-6-4-3-5-10(11)7- 8-13(12)15/h3-8,15H,9H2,1 -2H3; GOHHBFSPKLRUNF-UHFFFAOYSA-N |
CN(C)Cc1c2ccccc2ccc1O; CN(C)Cc1c(O)ccc2c cccc12 |
1-[(dimethylamino)methyl]naphthalen-2-ol |
| 21312 |  FXI ZINC000016052412 |
1 | C28 H29 Cl F N3 O4 S | InChI=1S/C28H29ClFN3O4S/c 1-3-4-17-33(27(35)31-21-1 2-10-20(29)11-13-21)28(15 -16-28)26(34)32-24-14-9-1 9(18-23(24)30)22-7-5-6-8- 25(22)38(2,36)37/h5-14,18 H,3-4,15-17H2,1-2H3,(H,31 ,35)(H,32,34); YZDZQPIVASXYKY-UHFFFAOYSA-N |
O=C(Nc2ccc(c1ccccc1S(=O)(=O)C)cc2F)C4(N( C(=O)Nc3ccc(Cl)cc3)CCCC)CC4; CCCCN(C(=O) Nc1ccc(cc1)Cl)C2(CC2)C(=O)Nc3ccc(cc3F)c4 ccccc4S(=O)(=O)C; CCCCN(C(=O)Nc1ccc(Cl)c c1)C2(CC2)C(=O)Nc3ccc(cc3F)c4ccccc4[S](C )(=O)=O |
1-(butyl{[(4-chlorophenyl)amino]carbonyl}amino)-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]cyclopropanecarboxamide |
| 21313 |  FXJ |
4 | C22 H16 Br2 N2 O6 | InChI=1S/C22H16Br2N2O6/c1 -31-16-8-6-13(7-9-16)22(2 8)32-20-14(10-15(23)11-18 (20)24)12-25-21(27)17-4-2 -3-5-19(17)26(29)30/h2-11 H,12H2,1H3,(H,25,27); ROLCPHUGRGJKFB-UHFFFAOYSA-N |
COc1ccc(cc1)C(=O)Oc2c(Br)cc(Br)cc2CNC(=O )c3ccccc3[N+]([O-])=O; COc1ccc(cc1)C(=O) Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O) [O-]; c2(Br)cc(cc(CNC(c1ccccc1[N+]([O-]) =O)=O)c2OC(c3ccc(cc3)OC)=O)Br |
2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 4-methoxybenzoate |
| 21314 |  FXK CHEMBL155625 DB12881 ZINC000000158743 |
1 | C9 H9 N O | InChI=1S/C9H9NO/c11-6-7-5 -10-9-4-2-1-3-8(7)9/h1-5, 10-11H,6H2; IVYPNXXAYMYVSP-UHFFFAOYSA-N |
c1ccc2c(c1)c(c[nH]2)CO; OCc1c[nH]c2ccccc 12 |
1~{H}-indol-3-ylmethanol |
| 21315 |  FXL ZINC000002382502 |
1 | C9 H10 Cl N O2 | InChI=1S/C9H10ClNO2/c10-7 -3-1-2-6(4-7)5-8(11)9(12) 13/h1-4,8H,5,11H2,(H,12,1 3)/t8-/m1/s1; JJDJLFDGCUYZMN-MRVPVSSYSA-N |
c1cc(cc(c1)Cl)C[C@H](C(=O)O)N; c1cc(cc(c 1)Cl)CC(C(=O)O)N; N[C@H](Cc1cccc(Cl)c1)C (O)=O; N[CH](Cc1cccc(Cl)c1)C(O)=O |
(2R)-2-azanyl-3-(3-chlorophenyl)propanoic acid |
| 21316 |  FXM ZINC000584905577 |
1 | C23 H31 N5 O8 S2 | InChI=1S/C23H31N5O8S2/c1- 5-6-13(15-10-38-21(24)27- 15)17(30)26-14(7-29)18-28 -16(12(9-37-18)8-34-22(25 )33)19(31)35-11-36-20(32) 23(2,3)4/h6-7,10,14,18,28 H,5,8-9,11H2,1-4H3,(H2,24 ,27)(H2,25,33)(H,26,30)/b 13-6-/t14-,18-/m1/s1; CXZSGDIZUNIAQH-FJWVKOTRSA-N |
CC/C=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@ H]2NC(=C(CS2)COC(=O)N)C(=O)OCOC(=O)C(C)( C)C; CCC=C(C(=O)N[CH](C=O)[CH]1NC(=C(COC (N)=O)CS1)C(=O)OCOC(=O)C(C)(C)C)c2csc(N) n2; CCC=C(c1csc(n1)N)C(=O)NC(C=O)C2NC(=C (CS2)COC(=O)N)C(=O)OCOC(=O)C(C)(C)C; CC\ C=C(/C(=O)N[C@H](C=O)[C@@H]1NC(=C(COC(N) =O)CS1)C(=O)OCOC(=O)C(C)(C)C)c2csc(N)n2 |
2,2-dimethylpropanoyloxymethyl (2R)-5-(aminocarbonyloxymethyl)-2-[(1R)-1-[[(Z)-2-(2-azanyl-1,3-thiazol-4-yl)pent-2-enoyl]amino]-2-oxidanylidene-ethyl]- 3,6-dihydro-2H-1,3-thiazine-4-carboxylate; FLOMOX open form |
| 21317 |  FXN DB03384 ZINC000005889384 |
2 | C11 H11 F N2 O S | InChI=1S/C11H11FN2OS/c12- 8-1-2-9-7(5-8)6-10(14-9)1 1(15)13-3-4-16/h1-2,5-6,1 4,16H,3-4H2,(H,13,15); JFUIHGAGFMFNRD-UHFFFAOYSA-N |
Fc1cc2c(cc1)nc(c2)C(=O)NCCS; c1cc2c(cc1F )cc([nH]2)C(=O)NCCS; Fc1ccc2[nH]c(cc2c1) C(=O)NCCS |
5-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID-(2-MERCAPTO-ETHYL)-AMIDE; FICA |
| 21318 |  FXQ CHEMBL102740 ZINC000001529581 |
0 | C6 H16 N6 | InChI=1S/C6H16N6/c7-5(8)1 1-3-1-2-4-12-6(9)10/h1-4H 2,(H4,7,8,11)(H4,9,10,12); HGMDNMBBCKDWTQ-UHFFFAOYSA-N |
NC(=N)NCCCCNC(N)=N; [H]/N=C(/N)\NCCCCNC( =N)N; C(CCNC(=N)N)CNC(=N)N |
1-(4-carbamimidamidobutyl)guanidine |
| 21319 |  FXR |
3 | C19 H16 N6 O2 | InChI=1S/C19H16N6O2/c1-11 -4-3-7-25-17(11)24-16-14( 19(25)27)8-13(15(20)23-16 )18(26)22-10-12-5-2-6-21- 9-12/h2-9H,10H2,1H3,(H2,2 0,23)(H,22,26); FDRSMDXOIMNVLE-UHFFFAOYSA-N |
CC1=CC=CN2C1=Nc3c(cc(c(n3)N)C(=O)NCc4ccc nc4)C2=O; CC1=CC=CN2C(=O)c3cc(c(N)nc3N=C 12)C(=O)NCc4cccnc4 |
6-azanyl-11-methyl-2-oxidanylidene-N-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.0^3,8]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide |
| 21320 |  FXS |
8 | C21 H13 Br2 N3 O7 | InChI=1S/C21H13Br2N3O7/c2 2-13-9-12(11-24-20(27)14- 5-1-3-7-17(14)25(29)30)19 (16(23)10-13)33-21(28)15- 6-2-4-8-18(15)26(31)32/h1 -10H,11H2,(H,24,27); LZFWIBPLLYTTGG-UHFFFAOYSA-N |
c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3cccc c3[N+](=O)[O-])Br)Br)[N+](=O)[O-]; [O-][ N+](=O)c1ccccc1C(=O)NCc2cc(Br)cc(Br)c2OC (=O)c3ccccc3[N+]([O-])=O; c1ccc(c(c1)[N+ ](=O)[O-])C(Oc2c(cc(cc2Br)Br)CNC(c3c(ccc c3)[N+]([O-])=O)=O)=O |
2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-nitrobenzoate |
| 21321 |  FXT CHEMBL101996 |
0 | C7 H18 N6 | InChI=1S/C7H18N6/c8-6(9)1 2-4-2-1-3-5-13-7(10)11/h1 -5H2,(H4,8,9,12)(H4,10,11 ,13); FIHKQNOFFQZHRM-UHFFFAOYSA-N |
[H]/N=C(/N)\NCCCCCNC(=N)N; NC(=N)NCCCCCN C(N)=N; C(CCNC(=N)N)CCNC(=N)N |
1-(5-carbamimidamidopentyl)guanidine |
| 21322 |  FXU CHEMBL4744809 |
2 | C12 H15 F3 N2 O4 S | InChI=1S/C12H15F3N2O4S/c1 -22(19,20)6-5-10(16)11(18 )17-8-3-2-4-9(7-8)21-12(1 3,14)15/h2-4,7,10H,5-6,16 H2,1H3,(H,17,18)/t10-/m1/ s1; SJCAGVRRCBPLMJ-SNVBAGLBSA-N |
C[S](=O)(=O)CC[CH](N)C(=O)Nc1cccc(OC(F)( F)F)c1; C[S](=O)(=O)CC[C@@H](N)C(=O)Nc1c ccc(OC(F)(F)F)c1; CS(=O)(=O)CCC(C(=O)Nc1 cccc(c1)OC(F)(F)F)N; CS(=O)(=O)CC[C@H](C (=O)Nc1cccc(c1)OC(F)(F)F)N |
(2R)-2-azanyl-4-methylsulfonyl-N-[3-(trifluoromethyloxy)phenyl]butanamide |
| 21323 |  FXV |
1 | C25 H27 N4 O4 | InChI=1S/C25H26N4O4/c1-16 (22(25(31)33-2)15-17-4-3- 5-21(14-17)23(26)27)28-24 (30)20-8-6-18(7-9-20)19-1 0-12-29(32)13-11-19/h3-14 ,16,22H,15H2,1-2H3,(H3,26 ,27)(H,28,30)/p+1/t16-,22 -/m1/s1; PFGVNLZDWRZPJW-OPAMFIHVSA-O |
O=C(OC)C(Cc1cc(C(=[NH2+])\N)ccc1)C(NC(=O )c3ccc(c2cc[n+]([O-])cc2)cc3)C; CC(C(Cc1 cccc(c1)C(=[NH2+])N)C(=O)OC)NC(=O)c2ccc( cc2)c3cc[n+](cc3)[O-]; COC(=O)[C@H](Cc1c ccc(c1)C(N)=[NH2+])[C@@H](C)NC(=O)c2ccc( cc2)c3cc[n+]([O-])cc3; COC(=O)[CH](Cc1cc cc(c1)C(N)=[NH2+])[CH](C)NC(=O)c2ccc(cc2 )c3cc[n+]([O-])cc3; C[C@H]([C@@H](Cc1ccc c(c1)C(=[NH2+])N)C(=O)OC)NC(=O)c2ccc(cc2 )c3cc[n+](cc3)[O-] |
METHYL-3-(4'-N-OXOPYRIDYLPHENOYL)-3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE; FXV673 |
| 21324 |  FXW CHEMBL4218628 |
6 | C22 H26 N4 O4 S2 | InChI=1S/C22H26N4O4S2/c27 -31(28)21-9-3-15(11-19(21 )25(13-23-31)17-5-6-17)1- 2-16-4-10-22-20(12-16)26( 18-7-8-18)14-24-32(22,29) 30/h3-4,9-12,17-18,23-24H ,1-2,5-8,13-14H2; TVWVZMLPANTKEA-UHFFFAOYSA-N |
c1cc2c(cc1CCc3ccc4c(c3)N(CNS4(=O)=O)C5CC 5)N(CNS2(=O)=O)C6CC6; O=[S]1(=O)NCN(C2CC 2)c3cc(CCc4ccc5c(c4)N(CN[S]5(=O)=O)C6CC6 )ccc13 |
6,6'-(ETHANE-1,2-DIYL)BIS(4-CYCLOPROPYL-3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE 1,1-DIOXIDE) |
| 21325 |  FXX CHEMBL4755686 |
4 | C11 H11 F3 N2 O4 | InChI=1S/C11H11F3N2O4/c12 -11(13,14)20-7-3-1-2-6(4- 7)16-10(19)8(15)5-9(17)18 /h1-4,8H,5,15H2,(H,16,19) (H,17,18)/t8-/m1/s1; LHAPJSHUQJWWEP-MRVPVSSYSA-N |
N[CH](CC(O)=O)C(=O)Nc1cccc(OC(F)(F)F)c1; N[C@H](CC(O)=O)C(=O)Nc1cccc(OC(F)(F)F)c 1; c1cc(cc(c1)OC(F)(F)F)NC(=O)[C@@H](CC( =O)O)N; c1cc(cc(c1)OC(F)(F)F)NC(=O)C(CC( =O)O)N |
(3R)-3-azanyl-4-oxidanylidene-4-[[3-(trifluoromethyloxy)phenyl]amino]butanoic acid |
| 21326 |  FXY DB02131 |
2 | C9 H19 N O | InChI=1S/C9H19NO/c1-3-4-5 -6-7-9(2)10-8-11/h8-9H,3- 7H2,1-2H3,(H,10,11)/t9-/m 1/s1; YWFHDUFNGSJLTL-SECBINFHSA-N |
O=CNC(CCCCCC)C; CCCCCCC(C)NC=O; CCCCCC[C H](C)NC=O; CCCCCC[C@@H](C)NC=O |
1-METHYLHEPTYLFORMAMIDE; N-1-METHYLHEPTYLFORMAMIDE |
| 21327 |  FY0 ZINC000098208909 |
0 | C12 H16 N O7 P | InChI=1S/C12H16NO7P/c1-13 -11(14)7-9(12(15)16)6-8-2 -4-10(5-3-8)20-21(17,18)1 9/h2-5,9H,6-7H2,1H3,(H,13 ,14)(H,15,16)(H2,17,18,19 )/t9-/m0/s1; IDTVHJPHANVLIO-VIFPVBQESA-N |
CNC(=O)C[C@H](Cc1ccc(cc1)OP(=O)(O)O)C(=O )O; CNC(=O)C[CH](Cc1ccc(O[P](O)(O)=O)cc1 )C(O)=O; CNC(=O)C[C@H](Cc1ccc(O[P](O)(O) =O)cc1)C(O)=O; CNC(=O)CC(Cc1ccc(cc1)OP(= O)(O)O)C(=O)O |
(2S)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoic acid |
| 21328 |  FY1 |
4 | C16 H14 Br2 N2 O5 | InChI=1S/C16H14Br2N2O5/c1 -24-9-25-15-10(6-11(17)7- 13(15)18)8-19-16(21)12-4- 2-3-5-14(12)20(22)23/h2-7 H,8-9H2,1H3,(H,19,21); ZLGSUAWZOLKSNW-UHFFFAOYSA-N |
COCOc1c(cc(cc1Br)Br)CNC(=O)c2ccccc2[N+]( =O)[O-]; [N+]([O-])(c1c(cccc1)C(NCc2c(c( Br)cc(c2)Br)OCOC)=O)=O; COCOc1c(Br)cc(Br )cc1CNC(=O)c2ccccc2[N+]([O-])=O |
N-{[3,5-dibromo-2-(methoxymethoxy)phenyl]methyl}-2-nitrobenzamide |
| 21329 |  FY2 ZINC000066325533 |
0 | C9 H9 F2 N O3 | InChI=1S/C9H9F2NO3/c10-7- 4(3-5(12)9(14)15)1-2-6(13 )8(7)11/h1-2,5,13H,3,12H2 ,(H,14,15)/t5-/m0/s1; XWNMQLVJIYFCFZ-YFKPBYRVSA-N |
N[C@@H](Cc1ccc(O)c(F)c1F)C(O)=O; c1cc(c( c(c1C[C@@H](C(=O)O)N)F)F)O; c1cc(c(c(c1C C(C(=O)O)N)F)F)O; N[CH](Cc1ccc(O)c(F)c1F )C(O)=O; NC(Cc1c(c(F)c(O)cc1)F)C(=O)O |
2,3-difluoro-L-tyrosine |
| 21330 |  FY3 |
0 | C9 H8 F3 N O3 | InChI=1S/C9H8F3NO3/c10-4- 1-3(2-5(13)9(15)16)6(11)7 (12)8(4)14/h1,5,14H,2,13H 2,(H,15,16)/t5-/m0/s1; AUJOGVIKYBGMRE-YFKPBYRVSA-N |
N[CH](Cc1cc(F)c(O)c(F)c1F)C(O)=O; NC(C(= O)O)Cc1cc(F)c(c(c1F)F)O; N[C@@H](Cc1cc(F )c(O)c(F)c1F)C(O)=O; c1c(c(c(c(c1F)O)F)F )CC(C(=O)O)N; c1c(c(c(c(c1F)O)F)F)C[C@@H ](C(=O)O)N |
2,3,5-trifluoro-L-tyrosine |
| 21331 |  FY4 |
4 | C21 H13 Br2 Cl N2 O5 | InChI=1S/C21H13Br2ClN2O5/ c22-14-9-13(11-25-20(27)1 6-3-1-2-4-18(16)26(29)30) 19(17(23)10-14)31-21(28)1 2-5-7-15(24)8-6-12/h1-10H ,11H2,(H,25,27); ZGBRPLXRTPRBNE-UHFFFAOYSA-N |
[O-][N+](=O)c1ccccc1C(=O)NCc2cc(Br)cc(Br )c2OC(=O)c3ccc(Cl)cc3; c1(c(Br)cc(cc1CNC (c2ccccc2[N+](=O)[O-])=O)Br)OC(c3ccc(Cl) cc3)=O; c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(= O)c3ccc(cc3)Cl)Br)Br)[N+](=O)[O-] |
2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 4-chlorobenzoate |
| 21332 |  FY5 ZINC000003830788 |
6 | C18 H22 O5 S | InChI=1S/C18H22O5S/c1-18- 9-8-14-13-5-3-12(23-24(20 ,21)22)10-11(13)2-4-15(14 )16(18)6-7-17(18)19/h3,5, 10,14-16H,2,4,6-9H2,1H3,( H,20,21,22)/t14-,15-,16-, 18-/m0/s1; JKKFKPJIXZFSSB-OVWQWFNUSA-N |
C[C]12CC[CH]3[CH](CCc4cc(O[S](O)(=O)=O)c cc34)[CH]1CCC2=O; C[C@]12CC[C@H]3c4ccc(c c4CC[C@@H]3[C@@H]1CCC2=O)OS(=O)(=O)O; CC 12CCC3c4ccc(cc4CCC3C1CCC2=O)OS(=O)(=O)O; C[C@]12CC[C@@H]3[C@H](CCc4cc(O[S](O)(=O )=O)ccc34)[C@@H]1CCC2=O |
estrone 3-sulfate |
| 21333 |  FY6 |
2 | C14 H17 Cl N2 O | InChI=1S/C14H17ClN2O/c1-1 1(18)14-16-8-10-17(14)9-2 -3-12-4-6-13(15)7-5-12/h4 -8,10-11,18H,2-3,9H2,1H3/ t11-/m0/s1; GGDYLOWWOJETKU-NSHDSACASA-N |
C[C@H](O)c1nccn1CCCc2ccc(Cl)cc2; C[C@@H] (c1nccn1CCCc2ccc(cc2)Cl)O; CC(c1nccn1CCC c2ccc(cc2)Cl)O; C[CH](O)c1nccn1CCCc2ccc( Cl)cc2 |
(1S)-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol |
| 21334 |  FY7 |
2 | C22 H13 Br2 N3 O5 | InChI=1S/C22H13Br2N3O5/c2 3-15-9-14(12-26-21(28)17- 7-3-4-8-19(17)27(30)31)20 (18(24)10-15)32-22(29)16- 6-2-1-5-13(16)11-25/h1-10 H,12H2,(H,26,28); PYKOCDMESJAHAB-UHFFFAOYSA-N |
[O-][N+](=O)c1ccccc1C(=O)NCc2cc(Br)cc(Br )c2OC(=O)c3ccccc3C#N; c1ccc(c(c1)C#N)C(= O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](= O)[O-]; c1cc(c(cc1)C#N)C(=O)Oc2c(cc(cc2C NC(c3c(cccc3)[N+](=O)[O-])=O)Br)Br |
2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-cyanobenzoate |
| 21335 |  FY8 ZINC000032625197 |
4 | C12 H15 Cl N2 O2 | InChI=1S/C12H15ClN2O2/c13 -9-1-2-11(16)10(7-9)15-12 (17)8-3-5-14-6-4-8/h1-2,7 -8,14,16H,3-6H2,(H,15,17); GIWLSSKLZAAODK-UHFFFAOYSA-N |
c1cc(c(cc1Cl)NC(=O)C2CCNCC2)O; Oc1ccc(Cl )cc1NC(=O)C2CCNCC2 |
N-(5-chloranyl-2-oxidanyl-phenyl)piperidine-4-carboxamide |
| 21336 |  FY9 CHEMBL4756867 |
1 | C26 H32 N2 O5 S | InChI=1S/C26H32N2O5S/c1-3 4(32,33)18-24(30)25(27)26 (31)28-14-12-22(13-15-28) 16-21-8-4-19(5-9-21)2-3-2 0-6-10-23(17-29)11-7-20/h 4-11,22,24-25,29-30H,12-1 8,27H2,1H3/t24-,25+/m0/s1; RNBZGRMVKCFVJP-LOSJGSFVSA-N |
CS(=O)(=O)CC(C(C(=O)N1CCC(CC1)Cc2ccc(cc2 )C#Cc3ccc(cc3)CO)N)O; CS(=O)(=O)C[C@@H]( [C@H](C(=O)N1CCC(CC1)Cc2ccc(cc2)C#Cc3ccc (cc3)CO)N)O; C[S](=O)(=O)C[CH](O)[CH](N) C(=O)N1CCC(CC1)Cc2ccc(cc2)C#Cc3ccc(CO)cc 3; C[S](=O)(=O)C[C@H](O)[C@@H](N)C(=O)N1 CCC(CC1)Cc2ccc(cc2)C#Cc3ccc(CO)cc3 |
(2R,3R)-2-azanyl-1-[4-[[4-[2-[4-(hydroxymethyl)phenyl]ethynyl]phenyl]methyl]piperidin-1-yl]-4-methylsulfonyl-3-oxidanyl-butan-1-one |
| 21337 |  FYA ZINC000015286878 |
2 | C19 H25 N6 O7 P | InChI=1S/C19H25N6O7P/c20- 12(6-11-4-2-1-3-5-11)7-30 -33(28,29)31-8-13-15(26)1 6(27)19(32-13)25-10-24-14 -17(21)22-9-23-18(14)25/h 1-5,9-10,12-13,15-16,19,2 6-27H,6-8,20H2,(H,28,29)( H2,21,22,23)/t12-,13+,15+ ,16+,19+/m0/s1; XNEAAYNJQROQFE-BPAMBQHCSA-N |
N[C@H](CO[P@](O)(=O)OC[C@H]1O[C@H]([C@H] (O)[C@@H]1O)n2cnc3c(N)ncnc23)Cc4ccccc4; O=P(O)(OCC(N)Cc1ccccc1)OCC4OC(n3cnc2c(nc nc23)N)C(O)C4O; c1ccc(cc1)C[C@@H](CO[P@@ ](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n 3cnc4c3ncnc4N)O)O)N; c1ccc(cc1)CC(COP(=O )(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)N; N [CH](CO[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH ]1O)n2cnc3c(N)ncnc23)Cc4ccccc4 |
ADENOSINE-5'-[PHENYLALANINOL-PHOSPHATE] |
| 21338 |  FYB CHEMBL3989220 |
6 | C17 H16 F3 N O4 | InChI=1S/C17H16F3NO4/c18- 10-1-2-13-11(7-10)12(22)8 -14(25-13)15(23)21-9-16(2 4)3-5-17(19,20)6-4-16/h1- 2,7-8,24H,3-6,9H2,(H,21,2 3); PJBRCGHQNUWERQ-UHFFFAOYSA-N |
OC1(CCC(F)(F)CC1)CNC(=O)C2=CC(=O)c3cc(F) ccc3O2; C1C(F)(CCC(C1)(CNC(C=2Oc3ccc(F)c c3C(C=2)=O)=O)O)F; c1cc2c(cc1F)C(=O)C=C( O2)C(=O)NCC3(CCC(CC3)(F)F)O |
~{N}-[[4,4-bis(fluoranyl)-1-oxidanyl-cyclohexyl]methyl]-6-fluoranyl-4-oxidanylidene-chromene-2-carboxamide |
| 21339 |  FYC CHEMBL4591890 ZINC000263620752 |
4 | C18 H16 F N3 O2 | InChI=1S/C18H16FN3O2/c1-1 1(8-13-4-2-3-5-14(13)19)1 7(23)20-10-12-6-7-15-16(9 -12)22-18(24)21-15/h2-9H, 10H2,1H3,(H,20,23)(H2,21, 22,24)/b11-8+; MNPHMLQQNDWSRS-DHZHZOJOSA-N |
CC(=Cc1ccccc1F)C(=O)NCc2ccc3c(c2)NC(=O)N 3; C/C(=C\c1ccccc1F)/C(=O)NCc2ccc3c(c2)N C(=O)N3; CC(=C\c1ccccc1F)/C(=O)NCc2ccc3N C(=O)Nc3c2; CC(=Cc1ccccc1F)C(=O)NCc2ccc3 NC(=O)Nc3c2 |
3-(2-fluorophenyl)-2-methyl-N-((2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)methyl)acrylamide |
| 21340 |  FYD |
12 | C22 H16 Br2 N2 O6 | InChI=1S/C22H16Br2N2O6/c1 -31-19-9-5-3-7-16(19)22(2 8)32-20-13(10-14(23)11-17 (20)24)12-25-21(27)15-6-2 -4-8-18(15)26(29)30/h2-11 H,12H2,1H3,(H,25,27); UJZBVAOLSMKIHH-UHFFFAOYSA-N |
C(c1ccccc1OC)(Oc3c(CNC(=O)c2ccccc2[N+]([ O-])=O)cc(cc3Br)Br)=O; COc1ccccc1C(=O)Oc 2c(Br)cc(Br)cc2CNC(=O)c3ccccc3[N+]([O-]) =O; COc1ccccc1C(=O)Oc2c(cc(cc2Br)Br)CNC( =O)c3ccccc3[N+](=O)[O-] |
2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-methoxybenzoate |
| 21341 |  FYE |
2 | C17 H18 F N O4 | InChI=1S/C17H18FNO4/c18-1 1-4-5-14-12(8-11)13(20)9- 15(23-14)16(21)19-10-17(2 2)6-2-1-3-7-17/h4-5,8-9,2 2H,1-3,6-7,10H2,(H,19,21); PHMBHONIMDVOKO-UHFFFAOYSA-N |
c1cc2c(cc1F)C(=O)C=C(O2)C(=O)NCC3(CCCCC3 )O; OC1(CCCCC1)CNC(=O)C2=CC(=O)c3cc(F)cc c3O2 |
6-fluoranyl-~{N}-[(1-oxidanylcyclohexyl)methyl]-4-oxidanylidene-chromene-2-carboxamide |
| 21342 |  FYF |
2 | C15 H15 N3 O2 | InChI=1S/C15H15N3O2/c1-11 (19)15-16-7-8-18(15)10-13 -9-14(20-17-13)12-5-3-2-4 -6-12/h2-9,11,19H,10H2,1H 3/t11-/m0/s1; AFOXOGZPNJAOMI-NSHDSACASA-N |
C[C@H](O)c1nccn1Cc2cc(on2)c3ccccc3; CC(c 1nccn1Cc2cc(on2)c3ccccc3)O; C[CH](O)c1nc cn1Cc2cc(on2)c3ccccc3; C[C@@H](c1nccn1Cc 2cc(on2)c3ccccc3)O |
(1S)-1-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]ethanol |
| 21343 |  FYG CHEMBL1689063 DB09060 ZINC000009302239 |
3 | C7 H11 N3 O6 S | InChI=1S/C7H11N3O6S/c8-6( 11)5-2-1-4-3-9(5)7(12)10( 4)16-17(13,14)15/h4-5H,1- 3H2,(H2,8,11)(H,13,14,15) /t4-,5+/m1/s1; NDCUAPJVLWFHHB-UHNVWZDZSA-N |
C(N)(C1CCC2CN1C(N2OS(=O)(O)=O)=O)=O; C1C C(N2CC1N(C2=O)OS(=O)(=O)O)C(=O)N; C1C[C@ H](N2C[C@@H]1N(C2=O)OS(=O)(=O)O)C(=O)N; NC(=O)[CH]1CC[CH]2C[N]1C(=O)N2O[S](O)(=O )=O; NC(=O)[C@@H]1CC[C@@H]2C[N@]1C(=O)N2 O[S](O)(=O)=O |
(2S,5R)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide; Avibactam |
| 21344 |  FYH CHEMBL4217428 |
1 | C19 H19 F3 N2 O3 | InChI=1S/C19H19F3N2O3/c20 -19(21,22)27-17-6-4-16(5- 7-17)23-18(25)15-3-1-2-14 (12-15)13-24-8-10-26-11-9 -24/h1-7,12H,8-11,13H2,(H ,23,25); MYWULUKAXYAFSH-UHFFFAOYSA-N |
c1cc(cc(c1)C(=O)Nc2ccc(cc2)OC(F)(F)F)CN3 CCOCC3; FC(F)(F)Oc1ccc(NC(=O)c2cccc(CN3C COCC3)c2)cc1 |
3-(morpholin-4-ylmethyl)-~{N}-[4-(trifluoromethyloxy)phenyl]benzamide |
| 21345 |  FYI ZINC000098208910 |
1 | C22 H34 N5 O9 P | InChI=1S/C22H34N5O9P/c1-4 -12(2)19(22(32)26-16(20(2 4)30)11-17(23)28)27-21(31 )14(10-18(29)25-3)9-13-5- 7-15(8-6-13)36-37(33,34)3 5/h5-8,12,14,16,19H,4,9-1 1H2,1-3H3,(H2,23,28)(H2,2 4,30)(H,25,29)(H,26,32)(H ,27,31)(H2,33,34,35)/t12- ,14-,16-,19-/m0/s1; UEYBGJJDTRNDGF-HAHWVIBASA-N |
CCC(C)C(C(=O)NC(CC(=O)N)C(=O)N)NC(=O)C(C c1ccc(cc1)OP(=O)(O)O)CC(=O)NC; CC[C@H](C )[C@H](NC(=O)[C@H](CC(=O)NC)Cc1ccc(O[P]( O)(O)=O)cc1)C(=O)N[C@@H](CC(N)=O)C(N)=O; CC[CH](C)[CH](NC(=O)[CH](CC(=O)NC)Cc1cc c(O[P](O)(O)=O)cc1)C(=O)N[CH](CC(N)=O)C( N)=O; CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(= O)N)C(=O)N)NC(=O)[C@@H](Cc1ccc(cc1)OP(=O )(O)O)CC(=O)NC; O=C(N)C(NC(=O)C(NC(=O)C( CC(=O)NC)Cc1ccc(OP(=O)(O)O)cc1)C(C)CC)CC (=O)N |
N-{(2S)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-isoleucyl-L-aspartamide |
| 21346 |  FYJ ZINC000013523496 |
12 | C12 H14 O6 S | InChI=1S/C12H14O6S/c13-7- 8(14)10(11(16)17)18-12(9( 7)15)19-6-4-2-1-3-5-6/h1- 5,7-10,12-15H,(H,16,17)/t 7-,8-,9+,10-,12-/m0/s1; XXJOOMMTHULGSD-LIJGXYGRSA-N |
c1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@@H]([C@ H](O2)C(=O)O)O)O)O; c1ccc(cc1)SC2C(C(C(C (O2)C(=O)O)O)O)O; C(C1OC(C(C(C1O)O)O)Sc2 ccccc2)(=O)O; O[C@@H]1[C@@H](O)[C@@H](O[ C@@H]([C@H]1O)C(O)=O)Sc2ccccc2; O[CH]1[C H](O)[CH](O[CH]([CH]1O)C(O)=O)Sc2ccccc2 |
phenyl 1-thio-beta-D-glucopyranosiduronic acid; phenyl 1-thio-beta-D-glucosiduronic acid; phenyl 1-thio-D-glucosiduronic acid; phenyl 1-thio-glucosiduronic acid |
| 21347 |  FYK CHEMBL4061542 |
5 | C13 H12 Cl N O5 | InChI=1S/C13H12ClNO5/c14- 8-5-9-11(6-10(8)19-7-1-2- 7)20-13(18)15(9)4-3-12(16 )17/h5-7H,1-4H2,(H,16,17); AYXQPTCYJAJHBG-UHFFFAOYSA-N |
OC(=O)CCN1C(=O)Oc2cc(OC3CC3)c(Cl)cc12; c 1c2c(cc(c1Cl)OC3CC3)OC(=O)N2CCC(=O)O |
3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid |
| 21348 |  FYL CHEMBL4747965 |
1 | C21 H24 N4 O5 | InChI=1S/C21H24N4O5/c1-15 (28)20-23-8-9-25(20)11-17 -10-19(30-24-17)7-4-16-2- 5-18(6-3-16)29-14-21(22,1 2-26)13-27/h2-3,5-6,8-10, 15,26-28H,11-14,22H2,1H3/ t15-/m0/s1; DKGUWMFQYQOPSO-HNNXBMFYSA-N |
CC(c1nccn1Cc2cc(on2)C#Cc3ccc(cc3)OCC(CO) (CO)N)O; C[C@@H](c1nccn1Cc2cc(on2)C#Cc3c cc(cc3)OCC(CO)(CO)N)O; C[CH](O)c1nccn1Cc 2cc(on2)C#Cc3ccc(OCC(N)(CO)CO)cc3; C[C@H ](O)c1nccn1Cc2cc(on2)C#Cc3ccc(OCC(N)(CO) CO)cc3 |
2-azanyl-2-[[4-[2-[3-[[2-[(1S)-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenoxy]methyl]propane-1,3-diol |
| 21349 |  FYM ZINC000095921392 |
4 | C27 H28 N2 O7 | InChI=1S/C27H28N2O7/c1-29 (14-18-5-4-6-22(34-3)25(1 8)27(31)32)15-19-11-23-24 (36-16-35-23)12-21(19)26( 30)28-13-17-7-9-20(33-2)1 0-8-17/h4-12H,13-16H2,1-3 H3,(H,28,30)(H,31,32); ROSKQERDRZMWLB-UHFFFAOYSA-N |
COc1ccc(CNC(=O)c2cc3OCOc3cc2CN(C)Cc4cccc (OC)c4C(O)=O)cc1; O=C(O)c1c(OC)cccc1CN(C )Cc2c(cc3OCOc3c2)C(=O)NCc4ccc(OC)cc4; CN (Cc1cccc(c1C(=O)O)OC)Cc2cc3c(cc2C(=O)NCc 4ccc(cc4)OC)OCO3 |
2-methoxy-6-[[[6-[(4-methoxyphenyl)methylcarbamoyl]-1,3-benzodioxol-5-yl]methyl-methyl-amino]methyl]benzoic acid |
| 21350 |  FYN ZINC000008551237 |
13 | C22 H36 N7 O17 P3 S | InChI=1S/C22H36N7O17P3S/c 1-22(2,17(33)20(34)25-4-3 -13(31)24-5-6-50-11-30)8- 43-49(40,41)46-48(38,39)4 2-7-12-16(45-47(35,36)37) 15(32)21(44-12)29-10-28-1 4-18(23)26-9-27-19(14)29/ h9-12,15-17,21,32-33H,3-8 H2,1-2H3,(H,24,31)(H,25,3 4)(H,38,39)(H,40,41)(H2,2 3,26,27)(H2,35,36,37)/t12 -,15-,16-,17+,21-/m1/s1; SXMOKYXNAPLNCW-GORZOVPNSA-N |
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)NCCSC=O; CC(C)(C O[P@](=O)(O)O[P@](=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)NCCSC=O)O; CC(C)(C OP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2n cnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC= O)O; CC(C)(CO[P@@](O)(=O)O[P@@](O)(=O)OC [C@H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=O )n2cnc3c(N)ncnc23)[C@@H](O)C(=O)NCCC(=O) NCCSC=O; O=CSCCNC(=O)CCNC(=O)C(O)C(C)(C) COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12 )N)C(O)C3OP(=O)(O)O |
|
| 21351 |  FYO ZINC000103542206 |
2 | C13 H8 N6 O3 | InChI=1S/C13H8N6O3/c14-5- 8-1-6(2-9(20)15-8)12-17-1 3(19-18-12)7-3-10(21)16-1 1(22)4-7/h1-3H,4H2,(H,15, 20)(H,16,21,22)(H,17,18,1 9); YUNURAZDMHEFGV-UHFFFAOYSA-N |
C1C(=CC(=O)NC1=O)c2[nH]nc(n2)C3=CC(=O)NC (=C3)C#N; O=C3C=C(c1nc(nn1)C=2C=C(C#N)NC (=O)C=2)CC(=O)N3; O=C1CC(=CC(=O)N1)c2[nH ]nc(n2)C3=CC(=O)NC(=C3)C#N |
4-[5-(2,6-dioxo-1,2,3,6-tetrahydropyridin-4-yl)-1H-1,2,4-triazol-3-yl]-6-oxo-1,6-dihydropyridine-2-carbonitrile |
| 21352 |  FYP CHEMBL407 DB01205 ZINC000000001464 |
16 | C15 H14 F N3 O3 | InChI=1S/C15H14FN3O3/c1-3 -22-15(21)13-12-7-18(2)14 (20)10-6-9(16)4-5-11(10)1 9(12)8-17-13/h4-6,8H,3,7H 2,1-2H3; OFBIFZUFASYYRE-UHFFFAOYSA-N |
CCOC(=O)c1ncn2c1CN(C)C(=O)c3cc(F)ccc23; CCOC(c3c2CN(C(c1c(ccc(c1)F)n2cn3)=O)C)=O ; CCOC(=O)c1c2n(cn1)-c3ccc(cc3C(=O)N(C2) C)F |
ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate; Flumazenil |
| 21353 |  FYQ ZINC000044670781 |
2 | C21 H31 N6 O10 P | InChI=1S/C21H31N6O10P/c1- 25-18(30)9-12(8-11-2-4-13 (5-3-11)37-38(34,35)36)20 (32)26-14(6-7-16(22)28)21 (33)27-15(19(24)31)10-17( 23)29/h2-5,12,14-15H,6-10 H2,1H3,(H2,22,28)(H2,23,2 9)(H2,24,31)(H,25,30)(H,2 6,32)(H,27,33)(H2,34,35,3 6)/t12-,14+,15+/m1/s1; KWOJJSIJYPOAJI-SNPRPXQTSA-N |
CNC(=O)C[C@@H](Cc1ccc(O[P](O)(O)=O)cc1)C (=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)= O)C(N)=O; CNC(=O)C[C@@H](Cc1ccc(cc1)OP(= O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H ](CC(=O)N)C(=O)N; CNC(=O)C[CH](Cc1ccc(O[ P](O)(O)=O)cc1)C(=O)N[CH](CCC(N)=O)C(=O) N[CH](CC(N)=O)C(N)=O; CNC(=O)CC(Cc1ccc(c c1)OP(=O)(O)O)C(=O)NC(CCC(=O)N)C(=O)NC(C C(=O)N)C(=O)N |
N~2~-{(2R)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-glutaminyl-L-aspartamide |
| 21354 |  FYR CHEMBL475848 ZINC000039194529 |
1 | C13 H10 O3 | InChI=1S/C13H10O3/c14-12- 8-10(6-7-11(12)13(15)16)9 -4-2-1-3-5-9/h1-8,14H,(H, 15,16); IDXMMAOAJXZWSS-UHFFFAOYSA-N |
OC(=O)c1ccc(cc1O)c2ccccc2; c1ccc(cc1)c2c cc(c(c2)O)C(=O)O |
2-oxidanyl-4-phenyl-benzoic acid |
| 21355 |  FYS |
2 | C22 H22 O3 | InChI=1S/C22H22O3/c1-2-21 (15-3-9-18(23)10-4-15)22( 16-5-11-19(24)12-6-16)17- 7-13-20(25)14-8-17/h3-14, 21-25H,2H2,1H3/t21-/m0/s1; UXOAPYKBADUIAI-NRFANRHFSA-N |
CC[CH](C(c1ccc(O)cc1)c2ccc(O)cc2)c3ccc(O )cc3; CC[C@H](C(c1ccc(O)cc1)c2ccc(O)cc2) c3ccc(O)cc3; CCC(c1ccc(O)cc1)C(c2ccc(O)c c2)c3ccc(cc3)O; CC[C@@H](c1ccc(cc1)O)C(c 2ccc(cc2)O)c3ccc(cc3)O; CCC(c1ccc(cc1)O) C(c2ccc(cc2)O)c3ccc(cc3)O |
4,4',4''-[(2R)-butane-1,1,2-triyl]triphenol |
| 21356 |  FYU ZINC000000434270 |
4 | C5 H4 N2 O3 | InChI=1S/C5H4N2O3/c8-2-3- 1-6-5(10)7-4(3)9/h1-2H,(H 2,6,7,9,10); OHAMXGZMZZWRCA-UHFFFAOYSA-N |
N1C(NC(C(=C1)C=O)=O)=O; O=CC1=CNC(=O)NC1 =O; C1=C(C(=O)NC(=O)N1)C=O |
2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde; 5-formyluracil |
| 21357 |  FYV CHEMBL1240591 ZINC000042827388 |
1 | C11 H8 N4 | InChI=1S/C11H8N4/c1-2-11- 13-8-10(15(11)14-5-1)9-3- 6-12-7-4-9/h1-8H; JVTKTZKSPATBCI-UHFFFAOYSA-N |
c1cnn2c(c1)ncc2c3ccncc3; c1cc2ncc(n2nc1) c3ccncc3; c1cc(ccn1)c2n3c(nc2)cccn3 |
3-(pyridin-4-yl)imidazo[1,2-b]pyridazine |
| 21358 |  FYW CHEMBL4115154 |
2 | C21 H18 F3 N5 O3 | InChI=1S/C21H18F3N5O3/c22 -21(23,24)32-17-3-1-15(2- 4-17)28-20(31)13-7-18(14- 8-25-12-26-9-14)19(27-10- 13)29-6-5-16(30)11-29/h1- 4,7-10,12,16,30H,5-6,11H2 ,(H,28,31)/t16-/m1/s1; LARFZNXVNANWFD-MRXNPFEDSA-N |
c1cc(ccc1NC(=O)c2cc(c(nc2)N3CCC(C3)O)c4c ncnc4)OC(F)(F)F; O[CH]1CCN(C1)c2ncc(cc2c 3cncnc3)C(=O)Nc4ccc(OC(F)(F)F)cc4; c1cc( ccc1NC(=O)c2cc(c(nc2)N3CC[C@H](C3)O)c4cn cnc4)OC(F)(F)F; O[C@@H]1CCN(C1)c2ncc(cc2 c3cncnc3)C(=O)Nc4ccc(OC(F)(F)F)cc4 |
6-[(3~{R})-3-oxidanylpyrrolidin-1-yl]-5-pyrimidin-5-yl-~{N}-[4-(trifluoromethyloxy)phenyl]pyridine-3-carboxamide |
| 21359 |  FYX CHEMBL1078685 DB01685 ZINC000013536586 |
2 | C13 H8 N6 | InChI=1S/C13H8N6/c14-8-11 -7-10(3-6-16-11)13-17-12( 18-19-13)9-1-4-15-5-2-9/h 1-7H,(H,17,18,19); UBVZQGOVTLIHLH-UHFFFAOYSA-N |
c1cnccc1c2[nH]nc(n2)c3ccnc(c3)C#N; N#Cc3 nccc(c2nc(c1ccncc1)nn2)c3; N#Cc1cc(ccn1) c2n[nH]c(n2)c3ccncc3 |
4-(5-PYRIDIN-4-YL-1H-1,2,4-TRIAZOL-3-YL)PYRIDINE-2-CARBONITRILE; 4-[5-PYRIDIN-4-YL-1H-[1,2,4]TRIAZOL-3-YL]-PYRIDINE-2-CARBONITRILE |
| 21360 |  FYY |
2 | C14 H15 B Br N O | InChI=1S/C14H15BBrNO/c16- 14-8-6-13(7-9-14)15(18-11 -10-17)12-4-2-1-3-5-12/h1 -9H,10-11,17H2; WVCHSOYKLDCILQ-UHFFFAOYSA-N |
B(c1ccccc1)(c2ccc(cc2)Br)OCCN; NCCOB(c1c cccc1)c2ccc(Br)cc2; B(c1ccc(Br)cc1)(c2cc ccc2)OCCN |
2-aminoethyl (4-bromophenyl)phenylborinate |
| 21361 |  FYZ ZINC000098208911 |
4 | C21 H22 O6 | InChI=1S/C21H22O6/c22-13- 17-18(23)19(24)20(25)21(2 7-17)26-12-4-5-14-8-10-16 (11-9-14)15-6-2-1-3-7-15/ h1-3,6-11,17-25H,12-13H2/ t17-,18-,19+,20+,21+/m1/s 1; UEPMXFZVTJIHES-MJCUULBUSA-N |
OC[CH]1O[CH](OCC#Cc2ccc(cc2)c3ccccc3)[CH ](O)[CH](O)[CH]1O; OC[C@H]1O[C@H](OCC#Cc 2ccc(cc2)c3ccccc3)[C@@H](O)[C@@H](O)[C@@ H]1O; c1ccc(cc1)c2ccc(cc2)C#CCO[C@@H]3[C @H]([C@H]([C@@H]([C@H](O3)CO)O)O)O; C(#C c2ccc(c1ccccc1)cc2)COC3OC(C(O)C(O)C3O)CO ; c1ccc(cc1)c2ccc(cc2)C#CCOC3C(C(C(C(O3) CO)O)O)O |
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[3-(4-phenylphenyl)prop-2-ynoxy]oxane-3,4,5-triol |
| 21362 |  FZ0 CHEMBL4758755 ZINC000019431283 |
2 | C9 H9 F3 N2 O2 | InChI=1S/C9H9F3N2O2/c10-9 (11,12)16-7-3-1-2-6(4-7)1 4-8(15)5-13/h1-4H,5,13H2, (H,14,15); BZQGZAVHPZXJBL-UHFFFAOYSA-N |
c1cc(cc(c1)OC(F)(F)F)NC(=O)CN; NCC(=O)Nc 1cccc(OC(F)(F)F)c1 |
2-azanyl-N-[3-(trifluoromethyloxy)phenyl]ethanamide |
| 21363 |  FZ1 CHEMBL4079583 ZINC000095921329 |
1 | C24 H23 N5 O | InChI=1S/C24H23N5O/c1-30- 19-11-9-18(10-12-19)28-14 -16-29(17-15-28)24-20-6-2 -3-7-21(20)26-23(27-24)22 -8-4-5-13-25-22/h2-13H,14 -17H2,1H3; BNLATJNUBANGFF-UHFFFAOYSA-N |
COc1ccc(cc1)N2CCN(CC2)c3nc(nc4ccccc34)c5 ccccn5; n1c(nc4c(c1N3CCN(c2ccc(OC)cc2)CC 3)cccc4)c5ncccc5; COc1ccc(cc1)N2CCN(CC2) c3c4ccccc4nc(n3)c5ccccn5 |
4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(pyridin-2-yl)quinazoline |
| 21364 |  FZ3 CHEMBL213493 |
1 | C12 H13 Cl N2 | InChI=1S/C12H13ClN2/c13-1 2-5-3-11(4-6-12)2-1-8-15- 9-7-14-10-15/h3-7,9-10H,1 -2,8H2; CLJJKXWBLJQDDT-UHFFFAOYSA-N |
c1cc(ccc1CCCn2ccnc2)Cl; Clc1ccc(CCCn2ccn c2)cc1 |
1-[3-(4-chlorophenyl)propyl]imidazole |
| 21365 |  FZ4 CHEMBL169233 ZINC000169743034 |
78 | C14 H16 B N O | InChI=1S/C14H16BNO/c16-11 -12-17-15(13-7-3-1-4-8-13 )14-9-5-2-6-10-14/h1-10H, 11-12,16H2; BLZVCIGGICSWIG-UHFFFAOYSA-N |
B(c1ccccc1)(c2ccccc2)OCCN; NCCOB(c1ccccc 1)c2ccccc2 |
2-aminoethyl diphenylborinate |
| 21366 |  FZ5 CHEMBL562562 ZINC000084336642 |
1 | C23 H28 O10 | InChI=1S/C23H28O10/c1-11( 25)19-13(5-3-12-4-6-15(27 )17(9-12)31-2)14(26)7-8-1 6(19)32-23-22(30)21(29)20 (28)18(10-24)33-23/h4,6-9 ,18,20-24,26-30H,3,5,10H2 ,1-2H3/t18-,20-,21+,22-,2 3-/m1/s1; YRCZOJOYJCLBDV-DODNOZFWSA-N |
CC(=O)c1c(ccc(c1CCc2ccc(c(c2)OC)O)O)O[C@ H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O ; COc1cc(CCc2c(O)ccc(O[CH]3O[CH](CO)[CH] (O)[CH](O)[CH]3O)c2C(C)=O)ccc1O; COc1cc( CCc2c(O)ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[ C@H](O)[C@H]3O)c2C(C)=O)ccc1O; CC(=O)c1c (ccc(c1CCc2ccc(c(c2)OC)O)O)OC3C(C(C(C(O3 )CO)O)O)O |
Scorzodihydrostilbene A |
| 21367 |  FZ6 CHEMBL4747065 |
2 | C10 H11 F3 N2 O3 | InChI=1S/C10H11F3N2O3/c11 -10(12,13)18-7-3-1-2-6(4- 7)15-9(17)8(14)5-16/h1-4, 8,16H,5,14H2,(H,15,17)/t8 -/m1/s1; QKKNXONMXNVCIX-MRVPVSSYSA-N |
N[C@H](CO)C(=O)Nc1cccc(OC(F)(F)F)c1; c1c c(cc(c1)OC(F)(F)F)NC(=O)[C@@H](CO)N; N[C H](CO)C(=O)Nc1cccc(OC(F)(F)F)c1; c1cc(cc (c1)OC(F)(F)F)NC(=O)C(CO)N |
(2R)-2-azanyl-3-oxidanyl-N-[3-(trifluoromethyloxy)phenyl]propanamide |
| 21368 |  FZ8 |
1 | C17 H17 N7 | InChI=1S/C17H17N7/c1-2-4- 14-13(3-1)21-15(22-14)11- 5-7-24(8-6-11)17-12-9-20- 23-16(12)18-10-19-17/h1-4 ,9-11H,5-8H2,(H,21,22)(H, 18,19,20,23); SAOVCWDCHHZCCL-UHFFFAOYSA-N |
n1c(c2c(nc1)nnc2)N5CCC(c4nc3ccccc3n4)CC5 ; c1ccc2c(c1)[nH]c(n2)C3CCN(CC3)c4c5cn[n H]c5ncn4; C1CN(CCC1c2[nH]c3ccccc3n2)c4nc nc5[nH]ncc45 |
4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine |
| 21369 |  FZ9 ZINC000012556526 |
1 | C18 H16 N6 | InChI=1S/C18H16N6/c1-2-4- 16-13(3-1)14(9-19-16)12-5 -7-24(8-6-12)18-15-10-22- 23-17(15)20-11-21-18/h1-5 ,9-11,19H,6-8H2,(H,20,21, 22,23); QOXYIHCPHZOWJH-UHFFFAOYSA-N |
c1ccc2c(c1)c(c[nH]2)C3=CCN(CC3)c4c5cn[nH ]c5ncn4; C1CC(=CCN1c2ncnc3[nH]ncc23)c4c[ nH]c5ccccc45; n1c(c2c(nc1)nnc2)N5CC=C(c4 c3ccccc3nc4)CC5 |
4-[4-(1H-indol-3-yl)-3,6-dihydropyridin-1(2H)-yl]-1H-pyrazolo[3,4-d]pyrimidine |
| 21370 |  FZA CHEMBL4794748 |
3 | C21 H21 N3 O3 | InChI=1S/C21H21N3O3/c1-23 -14-7-5-9-16(27-3)18(14)2 1(25)24-11-10-12-17-13(22 -19(12)20(23)24)6-4-8-15( 17)26-2/h4-9,20,22H,10-11 H2,1-3H3/t20-/m0/s1; FFAIVCGLKMKWII-FQEVSTJZSA-N |
CN1c2cccc(c2C(=O)N3[C@H]1c4c(c5c([nH]4)c ccc5OC)CC3)OC; CN1c2cccc(c2C(=O)N3C1c4c( c5c([nH]4)cccc5OC)CC3)OC; c1ccc5c(c1OC)C (N4C(c2c(c3c(n2)cccc3OC)CC4)N5C)=O; COc1 cccc2[nH]c3[C@H]4N(C)c5cccc(OC)c5C(=O)N4 CCc3c12; COc1cccc2[nH]c3[CH]4N(C)c5cccc( OC)c5C(=O)N4CCc3c12 |
(13bS)-4,9-dimethoxy-14-methyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one |
| 21371 |  FZB CHEMBL3586718 ZINC000473134300 |
1 | C17 H22 N4 O | InChI=1S/C17H22N4O/c1-10- 7-11-5-6-18-16(15(11)20-1 7(10)22)19-12-8-13-3-4-14 (9-12)21(13)2/h5-7,12-14H ,3-4,8-9H2,1-2H3,(H,18,19 )(H,20,22)/t12-,13-,14+; HBGWEOSHQILMON-ZSOGYDGISA-N |
CC1=Cc2ccnc(c2NC1=O)NC3CC4CCC(C3)N4C; CN 1[CH]2CC[CH]1C[CH](C2)Nc3nccc4C=C(C)C(=O )Nc34; CC1=Cc2ccnc(c2NC1=O)NC3C[C@H]4CC[ C@@H](C3)N4C; CN1[C@@H]2CC[C@H]1C[C@@H]( C2)Nc3nccc4C=C(C)C(=O)Nc34 |
3-methyl-8-((8-methyl-8-azabicyclooctan-3-yl)amino)-1,7-naphthyridin-2(1H)-one |
| 21372 |  FZC |
1 | C25 H26 Cl N5 O2 | InChI=1S/C25H26ClN5O2/c1- 14-8-9-28-25(29-14)33-19- 6-7-20(21(26)13-19)16-10- 22-24(15(2)30-31-22)23(11 -16)32-18-5-3-4-17(27)12- 18/h6-11,13,17-18H,3-5,12 ,27H2,1-2H3,(H,30,31)/t17 -,18+/m1/s1; NKDAXLGSBPGRHC-MSOLQXFVSA-N |
Cc1ccnc(Oc2ccc(c(Cl)c2)c3cc4[nH]nc(C)c4c (O[C@H]5CCC[C@@H](N)C5)c3)n1; Cc1ccnc(n1 )Oc2ccc(c(c2)Cl)c3cc4c(c(n[nH]4)C)c(c3)O [C@H]5CCC[C@H](C5)N; Cc1ccnc(Oc2ccc(c(Cl )c2)c3cc4[nH]nc(C)c4c(O[CH]5CCC[CH](N)C5 )c3)n1; Cc1ccnc(n1)Oc2ccc(c(c2)Cl)c3cc4c (c(n[nH]4)C)c(c3)OC5CCCC(C5)N |
(1~{R},3~{S})-3-[[6-[2-chloranyl-4-(4-methylpyrimidin-2-yl)oxy-phenyl]-3-methyl-1~{H}-indazol-4-yl]oxy]cyclohexan-1-amine |
| 21373 |  FZE CHEMBL4242484 |
1 | C30 H37 F2 N5 O | InChI=1S/C30H37F2N5O/c1-1 7-11-20(15-33-14-17)24-16 -34-28(27-23(24)12-18(2)2 9(38)37-27)36-26-13-21-4- 6-25(35-21)22(26)5-3-19-7 -9-30(31,32)10-8-19/h11-1 2,14-16,19,21-22,25-26,35 H,3-10,13H2,1-2H3,(H,34,3 6)(H,37,38)/t21-,22-,25+, 26-/m1/s1; XSDXNVMLXLEGSP-ULDOEVFSSA-N |
Cc1cncc(c1)c2cnc(N[CH]3C[CH]4CC[CH](N4)[ CH]3CCC5CCC(F)(F)CC5)c6NC(=O)C(=Cc26)C; Cc1cncc(c1)c2cnc(N[C@@H]3C[C@H]4CC[C@H]( N4)[C@H]3CCC5CCC(F)(F)CC5)c6NC(=O)C(=Cc2 6)C; Cc1cc(cnc1)c2cnc(c3c2C=C(C(=O)N3)C) NC4CC5CCC(C4CCC6CCC(CC6)(F)F)N5; Cc1cc(c nc1)c2cnc(c3c2C=C(C(=O)N3)C)N[C@@H]4C[C@ H]5CC[C@@H]([C@H]4CCC6CCC(CC6)(F)F)N5 |
8-(((1R,2R,3R,5S)-2-(2-(4,4-difluorocyclohexyl)ethyl)-8-azabicyclo[3.2.1]octan-3-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1H)-one |
| 21374 |  FZF CHEMBL5092617 |
1 | C25 H29 N7 O3 | InChI=1S/C25H29N7O3/c1-34 -20-13-16(24(33)32-9-11-3 5-12-10-32)7-8-19(20)29-2 5-30-22-21(17(14-26)15-27 -22)23(31-25)28-18-5-3-2- 4-6-18/h7-8,13,15,18H,2-6 ,9-12H2,1H3,(H3,27,28,29, 30,31); IOKQAXDJAARNRZ-UHFFFAOYSA-N |
COc1cc(ccc1Nc2nc3[nH]cc(C#N)c3c(NC4CCCCC 4)n2)C(=O)N5CCOCC5; COc1cc(ccc1Nc2nc3c(c (c[nH]3)C#N)c(n2)NC4CCCCC4)C(=O)N5CCOCC5 |
4-(cyclohexylamino)-2-[(2-methoxy-4-morpholin-4-ylcarbonyl-phenyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
| 21375 |  FZH CHEMBL4246741 |
1 | C30 H38 N4 O3 S | InChI=1S/C30H38N4O3S/c1-1 8-13-21(17-31-16-18)23-6- 8-27(29-25(23)14-19(2)30( 35)34-29)33-28-15-22-4-7- 26(32-22)24(28)5-3-20-9-1 1-38(36,37)12-10-20/h6,8, 13-14,16-17,20,22,24,26,2 8,32-33H,3-5,7,9-12,15H2, 1-2H3,(H,34,35)/t22-,24-, 26+,28-/m1/s1; RYLMNRNKGQACDG-PVRUFOIFSA-N |
Cc1cc(cnc1)c2ccc(c3c2C=C(C(=O)N3)C)N[C@@ H]4C[C@H]5CC[C@@H]([C@H]4CCC6CCS(=O)(=O) CC6)N5; Cc1cc(cnc1)c2ccc(c3c2C=C(C(=O)N3 )C)NC4CC5CCC(C4CCC6CCS(=O)(=O)CC6)N5; Cc 1cncc(c1)c2ccc(N[C@@H]3C[C@H]4CC[C@H](N4 )[C@H]3CCC5CC[S](=O)(=O)CC5)c6NC(=O)C(=C c26)C; Cc1cncc(c1)c2ccc(N[CH]3C[CH]4CC[C H](N4)[CH]3CCC5CC[S](=O)(=O)CC5)c6NC(=O) C(=Cc26)C |
8-[[(1~{S},2~{R},3~{R},5~{R})-2-[2-[1,1-bis(oxidanylidene)thian-4-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1~{H}-quinolin-2-one |
| 21376 |  FZI |
3 | C23 H38 N4 O10 S | InChI=1S/C23H38N4O10S/c1- 13(2)8-16(26-21(31)36-12- 14-10-27(11-14)22(32)37-2 3(3,4)5)19(29)25-17(20(30 )38(33,34)35)9-15-6-7-24- 18(15)28/h6-7,13-17,20,30 H,8-12H2,1-5H3,(H,24,28)( H,25,29)(H,26,31)(H,33,34 ,35)/t15-,16-,17-,20?/m0/ s1; WDYXMIZDWOFVQK-HTCLRFROSA-N |
CC(C)C[CH](NC(=O)OCC1CN(C1)C(=O)OC(C)(C) C)C(=O)N[CH](C[CH]2C=CNC2=O)[CH](O)[S](O )(=O)=O; CC(C)(C)OC(=O)N1CC(COC(=O)NC(CC (C)C)C(=O)NC(CC2C=CNC2=O)C(O)S(=O)(=O)O) C1; CC(C)C[C@H](NC(=O)OCC1CN(C1)C(=O)OC( C)(C)C)C(=O)N[C@@H](C[C@@H]2C=CNC2=O)[C@ @H](O)[S](O)(=O)=O; CC(C)CC(C(=O)NC(CC1C =CNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CN(C2)C (=O)OC(C)(C)C; CC(C)C[C@@H](C(=O)N[C@@H] (C[C@@H]1C=CNC1=O)[C@@H](O)S(=O)(=O)O)NC (=O)OCC2CN(C2)C(=O)OC(C)(C)C |
(1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid |
| 21377 |  FZJ CHEMBL4071021 |
1 | C13 H13 N5 O2 | InChI=1S/C13H13N5O2/c1-13 (2)17-11(19)9-4-3-8(12(20 )18(9)13)16-10-5-6-14-7-1 5-10/h3-7H,1-2H3,(H,17,19 )(H,14,15,16); YUDKTFUCCPOVGR-UHFFFAOYSA-N |
c1nccc(n1)NC2=CC=C3C(=O)NC(N3C2=O)(C)C; CC1(NC(=O)C2=CC=C(C(=O)N21)Nc3ccncn3)C; CC1(C)NC(=O)C2=CC=C(Nc3ccncn3)C(=O)N12 |
3,3-dimethyl-6-[(pyrimidin-4-yl)amino]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione |
| 21378 |  FZK |
5 | C12 H18 N4 O10 S | InChI=1S/C12H18N4O10S/c13 -5(3-17)10(21)15-27(23,24 )25-4-6-8(19)9(20)11(26-6 )16-2-1-7(18)14-12(16)22/ h1-2,5-6,8-9,11,17,19-20H ,3-4,13H2,(H,15,21)(H,14, 18,22)/t5-,6+,8+,9+,11+/m 0/s1; QIOFKSOPWDKKDG-DANLAGSESA-N |
N[CH](CO)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([ CH](O)[CH]1O)N2C=CC(=O)NC2=O; C1=CN(C(=O )NC1=O)C2C(C(C(O2)COS(=O)(=O)NC(=O)C(CO) N)O)O; N[C@@H](CO)C(=O)N[S](=O)(=O)OC[C@ H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC(=O)NC2 =O; C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H] ([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CO)N)O) O |
5'-O-(N-(L-seryl)-Sulfamoyl)uridine |
| 21379 |  FZL CHEMBL5092060 |
1 | C24 H27 N7 O2 | InChI=1S/C24H27N7O2/c1-33 -19-12-17(31-11-5-8-20(31 )32)9-10-18(19)28-24-29-2 2-21(15(13-25)14-26-22)23 (30-24)27-16-6-3-2-4-7-16 /h9-10,12,14,16H,2-8,11H2 ,1H3,(H3,26,27,28,29,30); LOHMGKJWMIIPRA-UHFFFAOYSA-N |
COc1cc(ccc1Nc2nc3c(c(c[nH]3)C#N)c(n2)NC4 CCCCC4)N5CCCC5=O; COc1cc(ccc1Nc2nc3[nH]c c(C#N)c3c(NC4CCCCC4)n2)N5CCCC5=O |
4-(cyclohexylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
| 21380 |  FZM CHEMBL1380070 ZINC000000241083 |
1 | C12 H12 N2 | InChI=1S/C12H12N2/c1-2-5- 10(6-3-1)11-9-14-8-4-7-12 (14)13-11/h1-3,5-6,9H,4,7 -8H2; PPYLPCSLYXBQRM-UHFFFAOYSA-N |
C1Cn2cc(nc2C1)c3ccccc3; c1cccc(c1)c2nc3n (c2)CCC3; c1ccc(cc1)c2cn3c(n2)CCC3 |
2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole |
| 21381 |  FZN ZINC000098208912 |
0 | C23 H37 N7 O15 P2 S | InChI=1S/C23H37N7O15P2S/c 1-10(26-5-3-2-4-11(24)22( 35)36)48-23-18(34)16(32)1 3(44-23)7-42-47(39,40)45- 46(37,38)41-6-12-15(31)17 (33)21(43-12)30-9-29-14-1 9(25)27-8-28-20(14)30/h8- 9,11-13,15-18,21,23,31-34 H,2-7,24H2,1H3,(H,35,36)( H,37,38)(H,39,40)(H2,25,2 7,28)/b26-10-/t11-,12+,13 +,15+,16+,17+,18+,21+,23+ /m0/s1; MURMPVFXCLHZCX-WVAZNDMKSA-N |
CC(S[CH]1O[CH](CO[P](O)(=O)O[P](O)(=O)OC [CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc3 4)[CH](O)[CH]1O)=NCCCC[CH](N)C(O)=O; C/C (=N/CCCC[C@@H](C(=O)O)N)/S[C@@H]1[C@@H]( [C@@H]([C@H](O1)CO[P@@](=O)(O)O[P@](=O)( O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c 3ncnc4N)O)O)O)O; CC(S[C@H]1O[C@H](CO[P@] (O)(=O)O[P@@](O)(=O)OC[C@H]2O[C@H]([C@H] (O)[C@@H]2O)n3cnc4c(N)ncnc34)[C@@H](O)[C @H]1O)=NCCCC[C@H](N)C(O)=O; CC(=NCCCCC(C (=O)O)N)SC1C(C(C(O1)COP(=O)(O)OP(=O)(O)O CC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)O)O; O=P( O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OP(=O )(O)OCC4OC(S\C(=N/CCCCC(C(=O)O)N)C)C(O)C 4O |
(2S)-2-amino-6-{[(1Z)-1-{[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]sulfanyl}ethylidene]amino}hexanoic acid |
| 21382 |  FZO CHEMBL5088755 |
1 | C23 H25 N7 O3 | InChI=1S/C23H25N7O3/c1-32 -18-11-16(30-8-2-3-19(30) 31)4-5-17(18)27-23-28-21- 20(14(12-24)13-25-21)22(2 9-23)26-15-6-9-33-10-7-15 /h4-5,11,13,15H,2-3,6-10H 2,1H3,(H3,25,26,27,28,29); GWQWEYUZUSIHAO-UHFFFAOYSA-N |
COc1cc(ccc1Nc2nc3[nH]cc(C#N)c3c(NC4CCOCC 4)n2)N5CCCC5=O; COc1cc(ccc1Nc2nc3c(c(c[n H]3)C#N)c(n2)NC4CCOCC4)N5CCCC5=O |
2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(oxan-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
| 21383 |  FZP |
1 | C25 H24 F N7 O3 | InChI=1S/C25H24FN7O3/c1-3 -23(34)28-19-5-4-6-20(15- 19)33(25(35)36-16-17-7-9- 18(26)10-8-17)22-11-13-27 -24(30-22)29-21-12-14-32( 2)31-21/h4-15H,3,16H2,1-2 H3,(H,28,34)(H,27,29,30,3 1); RAWSYDZNFQZYFL-UHFFFAOYSA-N |
CCC(=O)Nc1cccc(c1)N(c2ccnc(n2)Nc3ccn(n3) C)C(=O)OCc4ccc(cc4)F; CCC(=O)Nc1cccc(c1) N(C(=O)OCc2ccc(F)cc2)c3ccnc(Nc4ccn(C)n4) n3; c1(ccn(n1)C)Nc4nc(N(C(=O)OCc2ccc(F)c c2)c3cccc(c3)NC(CC)=O)ccn4 |
(4-fluorophenyl)methyl {2-[(1-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl}[3-(propanoylamino)phenyl]carbamate |
| 21384 |  FZQ |
5 | C12 H19 N5 O9 S | InChI=1S/C12H19N5O9S/c13- 5(3-18)10(21)16-27(23,24) 25-4-6-8(19)9(20)11(26-6) 17-2-1-7(14)15-12(17)22/h 1-2,5-6,8-9,11,18-20H,3-4 ,13H2,(H,16,21)(H2,14,15, 22)/t5-,6+,8+,9+,11+/m0/s 1; KLHALWQAANSHJB-DANLAGSESA-N |
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@ H](O2)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O; N [C@@H](CO)C(=O)N[S](=O)(=O)OC[C@H]1O[C@H ]([C@H](O)[C@@H]1O)N2C=CC(=NC2=O)N; C1=C N(C(=O)N=C1N)C2C(C(C(O2)COS(=O)(=O)NC(=O )C(CO)N)O)O; N[CH](CO)C(=O)N[S](=O)(=O)O C[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=NC2=O) N |
5'-O-(N-(L-seryl)-sulfamoyl)cytidine |
| 21385 |  FZR CHEMBL5079268 |
1 | C17 H20 N8 | InChI=1S/C17H20N8/c1-25-1 0-13(9-20-25)22-17-23-15- 14(11(7-18)8-19-15)16(24- 17)21-12-5-3-2-4-6-12/h8- 10,12H,2-6H2,1H3,(H3,19,2 1,22,23,24); KGMINTBDNKGRFK-UHFFFAOYSA-N |
Cn1cc(cn1)Nc2nc3c(c(c[nH]3)C#N)c(n2)NC4C CCCC4; Cn1cc(Nc2nc3[nH]cc(C#N)c3c(NC4CCC CC4)n2)cn1 |
4-(cyclohexylamino)-2-[(1-methylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
| 21386 |  FZS |
6 | C14 H17 N5 O5 S2 | InChI=1S/C14H17N5O5S2/c1- 6-4-25-12(18-9(6)13(22)23 )7(3-20)16-11(21)10(19-24 -2)8-5-26-14(15)17-8/h5,7 ,12,20H,1,3-4H2,2H3,(H2,1 5,17)(H,16,21)(H,22,23)/b 19-10-/t7-,12+/m0/s1; BPQMPOALEVUCBW-FFHDXYSJSA-N |
CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H](CO)[C@@ H]2N=C(C(=C)CS2)C(=O)O; CON=C(C(=O)N[CH] (CO)[CH]1SCC(=C)C(=N1)C(O)=O)c2csc(N)n2; CO\N=C(/C(=O)N[C@@H](CO)[C@H]1SCC(=C)C( =N1)C(O)=O)c2csc(N)n2; CON=C(c1csc(n1)N) C(=O)NC(CO)C2N=C(C(=C)CS2)C(=O)O; OCC(NC (\C(=N/OC)c1csc(N)n1)=O)C2N=C(C(O)=O)C(= C)/CS2 |
(2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid; Ceftriaxone open, bound form |
| 21387 |  FZT |
5 | C13 H20 N4 O10 S | InChI=1S/C13H20N4O10S/c1- 16-8(19)2-3-17(13(16)23)1 2-10(21)9(20)7(27-12)5-26 -28(24,25)15-11(22)6(14)4 -18/h2-3,6-7,9-10,12,18,2 0-21H,4-5,14H2,1H3,(H,15, 22)/t6-,7+,9+,10+,12+/m0/ s1; FDYLXUQGMZNPQQ-IXKMEIRJSA-N |
CN1C(=O)C=CN([CH]2O[CH](CO[S](=O)(=O)NC( =O)[CH](N)CO)[CH](O)[CH]2O)C1=O; CN1C(=O )C=CN([C@@H]2O[C@H](CO[S](=O)(=O)NC(=O)[ C@@H](N)CO)[C@@H](O)[C@H]2O)C1=O; CN1C(= O)C=CN(C1=O)C2C(C(C(O2)COS(=O)(=O)NC(=O) C(CO)N)O)O; CN1C(=O)C=CN(C1=O)[C@H]2[C@@ H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H ](CO)N)O)O |
5'-O-(N-(L-seryl)-sulfamoyl)N3-methyluridine |
| 21388 |  FZU ZINC000000895384 |
1 | C6 H12 O6 | InChI=1S/C6H12O6/c7-2-6(1 1)5(10)4(9)3(8)1-12-6/h3- 5,7-11H,1-2H2/t3-,4+,5+,6 +/m0/s1; LKDRXBCSQODPBY-SLPGGIOYSA-N |
OC[C]1(O)OC[CH](O)[CH](O)[CH]1O; OC[C@@] 1(O)OC[C@H](O)[C@@H](O)[C@H]1O; C1[C@@H] ([C@H]([C@H]([C@](O1)(CO)O)O)O)O; C1C(C( C(C(O1)(CO)O)O)O)O |
(2R,3R,4R,5S)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol |
| 21389 |  FZV CHEMBL4635548 |
2 | C30 H37 N3 O3 S | InChI=1S/C30H37N3O3S/c1-3 0(2,3)36-29(35)33-26(19-2 3-11-6-4-7-12-23)22-37-27 (20-24-13-8-5-9-14-24)28( 34)32-18-16-25-15-10-17-3 1-21-25/h4-15,17,21,26-27 H,16,18-20,22H2,1-3H3,(H, 32,34)(H,33,35)/t26-,27+/ m0/s1; WMAJRQYZQMKYGY-RRPNLBNLSA-N |
CC(C)(C)OC(=O)NC(Cc1ccccc1)CSC(Cc2ccccc2 )C(=O)NCCc3cccnc3; CC(C)(C)OC(=O)N[C@@H] (Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)NCCc3c ccnc3; CC(C)(C)OC(=O)N[C@H](CS[C@H](Cc1c cccc1)C(=O)NCCc2cccnc2)Cc3ccccc3; CC(C)( C)OC(=O)N[CH](CS[CH](Cc1ccccc1)C(=O)NCCc 2cccnc2)Cc3ccccc3; CC(OC(=O)NC(CSC(C(=O) NCCc1cccnc1)Cc2ccccc2)Cc3ccccc3)(C)C |
tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate |
| 21390 |  FZW |
1 | C28 H20 F3 N7 O | InChI=1S/C28H20F3N7O/c1-1 7-9-10-18(26(39)34-22-8-2 -7-21(14-22)28(29,30)31)1 3-23(17)35-27-37-24(19-5- 3-11-32-15-19)36-25(38-27 )20-6-4-12-33-16-20/h2-16 H,1H3,(H,34,39)(H,35,36,3 7,38); FQDJXKXBKFLPSH-UHFFFAOYSA-N |
Cc1ccc(cc1Nc2nc(nc(n2)c3cccnc3)c4cccnc4) C(=O)Nc5cccc(c5)C(F)(F)F |
3-[(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide |
| 21391 |  FZX CHEMBL352155 ZINC000019941720 |
1 | C11 H10 N2 O2 | InChI=1S/C11H10N2O2/c14-1 1(15)10-12-6-7-13(10)8-9- 4-2-1-3-5-9/h1-7H,8H2,(H, 14,15); QEEBXPXPYKOARL-UHFFFAOYSA-N |
OC(=O)c1nccn1Cc2ccccc2; c1ccc(cc1)Cn2ccn c2C(=O)O |
1-(phenylmethyl)imidazole-2-carboxylic acid |
| 21392 |  FZZ ZINC000230586059 |
7 | C22 H29 N4 O9 P | InChI=1S/C22H29N4O9P/c1-9 -5-12-15-11(6-22(3,4)16(1 5)10(9)2)23-17-19(24-21(3 1)25-20(17)30)26(12)7-13( 27)18(29)14(28)8-35-36(32 ,33)34/h5,13-14,18,27-29H ,6-8H2,1-4H3,(H2,32,33,34 )(H2,24,25,30,31)/t13-,14 +,18-/m0/s1; VYQCRFJWAWALRP-IYOUNJFTSA-N |
Cc1cc2c3c(c1C)C(CC3=NC4=C(N2C[C@@H]([C@@ H]([C@@H](COP(=O)(O)O)O)O)O)N=C(NC4=O)O) (C)C; Cc1cc2c3c(c1C)C(CC3=NC4=C(N2CC(C(C (COP(=O)(O)O)O)O)O)N=C(NC4=O)O)(C)C; Cc1 cc2N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O )=O)C3=C(N=C4CC(C)(C)c(c1C)c24)C(=O)NC(= N3)O; Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P ](O)(O)=O)C3=C(N=C4CC(C)(C)c(c1C)c24)C(= O)NC(=N3)O; O=C1NC(=O)N=C4C1N=C2CC(c3c2c (cc(c3C)C)N4CC(C(C(O)COP(O)(O)=O)O)O)(C) C |
1-deoxy-5-O-phosphono-1-[(10aR)-2,2,3,4-tetramethyl-8,10-dioxo-1,2,8,9,10,10a-hexahydro-6H-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl]-D-ribitol |
| 21393 |  G CHEMBL283807 DB01972 ZINC000002159505 |
194 | C10 H14 N5 O8 P | InChI=1S/C10H14N5O8P/c11- 10-13-7-4(8(18)14-10)12-2 -15(7)9-6(17)5(16)3(23-9) 1-22-24(19,20)21/h2-3,5-6 ,9,16-17H,1H2,(H2,19,20,2 1)(H3,11,13,14,18)/t3-,5- ,6-,9-/m1/s1; RQFCJASXJCIDSX-UUOKFMHZSA-N |
NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P] (O)(O)=O)[C@@H](O)[C@H]3O; NC1=Nc2n(cnc2 C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O) [CH]3O; O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3 O)COP(=O)(O)O; c1nc2c(n1C3C(C(C(O3)COP(= O)(O)O)O)O)N=C(NC2=O)N; c1nc2c(n1[C@H]3[ C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N= C(NC2=O)N |
GUANOSINE-5'-MONOPHOSPHATE |
| 21394 |  G00 CHEMBL568966 ZINC000004713685 |
2 | C12 H17 Cl N2 O S | InChI=1S/C12H17ClN2OS/c1- 2-3-6-16-11-5-4-9(7-10(11 )13)8-17-12(14)15/h4-5,7H ,2-3,6,8H2,1H3,(H3,14,15); IONZMLSFEITLRK-UHFFFAOYSA-N |
CCCCOc1ccc(cc1Cl)CSC(=N)N; [H]/N=C(/N)\S Cc1ccc(c(c1)Cl)OCCCC; CCCCOc1ccc(CSC(N)= N)cc1Cl |
4-butoxy-3-chlorobenzyl imidothiocarbamate |
| 21395 |  G01 CHEMBL1232884 ZINC000034279157 |
2 | C6 H12 N O6 P | InChI=1S/C6H12NO6P/c1-14( 12,13)7-4(6(10)11)2-3-5(8 )9/h4H,2-3H2,1H3,(H,8,9)( H,10,11)(H2,7,12,13)/t4-/ m1/s1; XVXVUGZUKCQIOK-SCSAIBSYSA-N |
CP(=O)(NC(CCC(=O)O)C(=O)O)O; C[P](O)(=O) N[CH](CCC(O)=O)C(O)=O; O=C(O)CCC(NP(=O)( O)C)C(=O)O; C[P@](O)(=O)N[C@H](CCC(O)=O) C(O)=O; C[P@](=O)(N[C@H](CCC(=O)O)C(=O)O )O |
N-[(R)-hydroxy(methyl)phosphoryl]-D-glutamic acid; N-PHOSPHONOMETHYL-D-GLUTAMIC ACID |
| 21396 |  G02 |
1 | C25 H19 F3 N8 O | InChI=1S/C25H19F3N8O/c1-1 4-6-7-15(24(37)32-17-5-3- 4-16(11-17)25(26,27)28)10 -19(14)33-21-18-12-31-36( 2)23(18)35-22(34-21)20-13 -29-8-9-30-20/h3-13H,1-2H 3,(H,32,37)(H,33,34,35); NPNYLZWEJSSGBG-UHFFFAOYSA-N |
Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cnccn4)C)C( =O)Nc5cccc(c5)C(F)(F)F; Cn1ncc2c(Nc3cc(c cc3C)C(=O)Nc4cccc(c4)C(F)(F)F)nc(nc12)c5 cnccn5 |
4-methyl-3-[(1-methyl-6-pyrazin-2-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide |
| 21397 |  G03 |
4 | C14 H23 N2 O7 P S | InChI=1S/C14H23N2O7PS/c1- 9-13(17)11(10(6-15-9)8-23 -24(19,20)21)7-16-12(4-5- 25-3)14(18)22-2/h6,12,16- 17H,4-5,7-8H2,1-3H3,(H2,1 9,20,21)/t12-/m0/s1; XFBSUAILPATRCO-LBPRGKRZSA-N |
COC(=O)[C@H](CCSC)NCc1c(O)c(C)ncc1CO[P]( O)(O)=O; Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CC SC)C(=O)OC)O; Cc1c(c(c(cn1)COP(=O)(O)O)C N[C@@H](CCSC)C(=O)OC)O; COC(=O)[CH](CCSC )NCc1c(O)c(C)ncc1CO[P](O)(O)=O |
methyl (2S)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-4-methylsulfanyl-butanoate |
| 21398 |  G04 CHEMBL3577576 ZINC000098208913 |
6 | C29 H40 N2 O9 S | InChI=1S/C29H40N2O9S/c1-1 9(2)15-31(41(34,35)22-12- 10-21(36-3)11-13-22)16-24 (32)23(14-20-8-6-5-7-9-20 )30-29(33)40-26-18-39-28- 27(26)25(37-4)17-38-28/h5 -13,19,23-28,32H,14-18H2, 1-4H3,(H,30,33)/t23-,24+, 25-,26-,27-,28+/m0/s1; YOBNNQXGIZIFRK-ZXOGEQNHSA-N |
O=S(=O)(c1ccc(OC)cc1)N(CC(C)C)CC(O)C(NC( =O)OC2COC3OCC(OC)C23)Cc4ccccc4; CO[C@H]1 CO[C@@H]2OC[C@H](OC(=O)N[C@@H](Cc3ccccc3 )[C@H](O)CN(CC(C)C)[S](=O)(=O)c4ccc(OC)c c4)[C@H]12; CC(C)CN(CC(C(Cc1ccccc1)NC(=O )OC2COC3C2C(CO3)OC)O)S(=O)(=O)c4ccc(cc4) OC; CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)N C(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OC) O)S(=O)(=O)c4ccc(cc4)OC; CO[CH]1CO[CH]2O C[CH](OC(=O)N[CH](Cc3ccccc3)[CH](O)CN(CC (C)C)[S](=O)(=O)c4ccc(OC)cc4)[CH]12 |
(3R,3aS,4R,6aR)-4-methoxyhexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate |
| 21399 |  G05 ZINC000116522216 |
2 | C29 H40 N2 O8 S | InChI=1S/C29H40N2O8S/c1-2 0(2)18-31(40(34,35)24-11- 9-22(36-3)10-12-24)19-26( 32)25(15-21-7-5-4-6-8-21) 30-29(33)39-23-16-27-28(1 7-23)38-14-13-37-27/h4-12 ,20,23,25-28,32H,13-19H2, 1-3H3,(H,30,33)/t23-,25-, 26+,27+,28-/m0/s1; JRXDKTCILCAIFM-XVYWXRPESA-N |
COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[C@@H]( O)[C@H](Cc2ccccc2)NC(=O)O[C@H]3C[C@H]4OC CO[C@H]4C3; CC(C)CN(CC(C(Cc1ccccc1)NC(=O )OC2CC3C(C2)OCCO3)O)S(=O)(=O)c4ccc(cc4)O C; COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[CH] (O)[CH](Cc2ccccc2)NC(=O)O[CH]3C[CH]4OCCO [CH]4C3; O=S(=O)(c1ccc(OC)cc1)N(CC(C)C)C C(O)C(NC(=O)OC2CC3OCCOC3C2)Cc4ccccc4; CC (C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O C2C[C@@H]3[C@H](C2)OCCO3)O)S(=O)(=O)c4cc c(cc4)OC |
(4aR,6r,7aS)-hexahydro-4aH-cyclopenta[b][1,4]dioxin-6-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate |
| 21400 |  G06 |
4 | C14 H21 N2 O7 P S | InChI=1S/C14H21N2O7PS/c1- 9-13(17)11(10(6-15-9)8-23 -24(19,20)21)7-16-12(4-5- 25-3)14(18)22-2/h6-7,12,1 7H,4-5,8H2,1-3H3,(H2,19,2 0,21)/b16-7+/t12-/m0/s1; VXNUIRDVLGPXAG-QFULYMJESA-N |
COC(=O)[C@H](CCSC)N=Cc1c(O)c(C)ncc1CO[P] (O)(O)=O; Cc1c(c(c(cn1)COP(=O)(O)O)C=NC( CCSC)C(=O)OC)O; Cc1c(c(c(cn1)COP(=O)(O)O )/C=N/[C@@H](CCSC)C(=O)OC)O; COC(=O)[CH] (CCSC)N=Cc1c(O)c(C)ncc1CO[P](O)(O)=O |
methyl (2S)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-4-methylsulfanyl-butanoate |