 | | OM7 | | Name: | (2R,6S,12Z,13aS,14aR,16aS)-6-[(N-acetyl-L-isoleucyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-N-[(1-methylcyclo
propyl)sulfonyl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacycl
opentadecine-14a(5H)-carboxamide | | Formula: | C40 H55 N7 O9 S | | SMILES: | C6(N3C(CC(Oc2c(nc1c(cc(OC)cc1)n2)C)C3)C(NC5(C(NS(C4(C)CC4)(=O)=O)=O)C(C5)C=CCCCCCC6NC(C(NC(C)=O)C(CC)C)=O)=O)=O | | InChi: | InChI=1S/C40H55N7O9S/c1-7-23(2)33(42-25(4)48)35(50)43-30-14-12-10-8-9-11-13-26-21-40(26,38(52)46-57(53,54)39(5)17-18-39)45-34(49)32-20-28(22-47(32)37(30)51)56-36-24(3)41-29-16-15-27(55-6)19-31(29)44-36/h11,13,15-16,19,23,26,28,30,32-33H,7-10,12,14,17-18,20-22H2,1-6H3,(H,42,48)(H,43,50)(H,45,49)(H,46,52)/b13-11-/t23-,26+,28+,30-,32-,33-,40+/m0/s1 | | Synonyms: | P4-P5-4 (AJ-65) | | Definition date: | 2019-06-28 | | Last modified: | 2020-06-17 | | Release date: | 2020-03-04 | | Identifier: | (2R,6S,12Z,13aS,14aR,16aS)-6-[(N-acetyl-L-isoleucyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-N-[(1-methylcyclopropyl)sulfonyl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide |
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 | | ON3 | | Name: | 1-(4-{[(2S,3R)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]oxy}phenyl)cyclopropan
ecarboxylic acid | | Formula: | C31 H34 O7 | | SMILES: | c1(cc(c(c(c1)OC)C)OC)C(C(COc2ccc(cc2)C3(C(O)=O)CC3)OC4Cc5c(C4)cccc5)O | | InChi: | InChI=1S/C31H34O7/c1-19-26(35-2)16-22(17-27(19)36-3)29(32)28(38-25-14-20-6-4-5-7-21(20)15-25)18-37-24-10-8-23(9-11-24)31(12-13-31)30(33)34/h4-11,16-17,25,28-29,32H,12-15,18H2,1-3H3,(H,33,34)/t28-,29+/m0/s1 | | Synonyms: | ONO-3080573 | | Definition date: | 2015-03-31 | | Last modified: | 2020-06-17 | | Release date: | 2015-06-03 | | Identifier: | 1-(4-{[(2S,3R)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]oxy}phenyl)cyclopropanecarboxylic acid |
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 | | ON7 | | Name: | {1-[(2S,3S)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-4-(methoxycarbonyl)-1
H-pyrrol-3-yl}acetic acid | | Formula: | C30 H35 N O7 | | SMILES: | O=C(c1c(cn(c1)CC(C(O)c2cc(OC)c(C)c(c2)OC)CC4Cc3ccccc3C4)CC(=O)O)OC | | InChi: | InChI=1S/C30H35NO7/c1-18-26(36-2)12-22(13-27(18)37-3)29(34)24(11-19-9-20-7-5-6-8-21(20)10-19)16-31-15-23(14-28(32)33)25(17-31)30(35)38-4/h5-8,12-13,15,17,19,24,29,34H,9-11,14,16H2,1-4H3,(H,32,33)/t24-,29+/m0/s1 | | Synonyms: | ONO9780307 | | Definition date: | 2015-03-31 | | Last modified: | 2020-06-17 | | Release date: | 2015-06-03 | | Identifier: | {1-[(2S,3S)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-4-(methoxycarbonyl)-1H-pyrrol-3-yl}acetic acid |
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 | | 3J8 | | Name: | 5-methylphenazin-1(5H)-one | | Formula: | C13 H10 N2 O | | SMILES: | O=C3C2=Nc1c(cccc1)N(C2=CC=C3)C | | InChi: | InChI=1S/C13H10N2O/c1-15-10-6-3-2-5-9(10)14-13-11(15)7-4-8-12(13)16/h2-8H,1H3 | | Synonyms: | Pyocyanin | | Definition date: | 2009-09-25 | | Last modified: | 2020-06-17 | | Identifier: | 5-methylphenazin-1(5H)-one |
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 | | 3JD | | Name: | 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide | | Formula: | C19 H20 N4 O | | SMILES: | O=C(c1cccc2cn(nc12)c3ccc(cc3)C4CCCNC4)N | | InChi: | InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1 | | Synonyms: | Niraparib | | Definition date: | 2014-08-26 | | Last modified: | 2020-06-17 | | Release date: | 2015-09-09 | | Identifier: | 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide |
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 | | 3JL | | Name: | 3-(3-carboxypropyl)benzene-1,2-dicarboxylic acid | | Formula: | C12 H12 O6 | | SMILES: | O=C(O)c1cccc(c1C(=O)O)CCCC(=O)O | | InChi: | InChI=1S/C12H12O6/c13-9(14)6-2-4-7-3-1-5-8(11(15)16)10(7)12(17)18/h1,3,5H,2,4,6H2,(H,13,14)(H,15,16)(H,17,18) | | Synonyms: | 3-carboxypropyl-phthalic acid | | Definition date: | 2014-08-27 | | Last modified: | 2020-06-17 | | Release date: | 2014-12-10 | | Identifier: | 3-(3-carboxypropyl)benzene-1,2-dicarboxylic acid |
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 | | 3JM | | Name: | 3-(2-carboxyethyl)benzene-1,2-dicarboxylic acid | | Formula: | C11 H10 O6 | | SMILES: | O=C(O)c1cccc(c1C(=O)O)CCC(=O)O | | InChi: | InChI=1S/C11H10O6/c12-8(13)5-4-6-2-1-3-7(10(14)15)9(6)11(16)17/h1-3H,4-5H2,(H,12,13)(H,14,15)(H,16,17) | | Synonyms: | 3-carboxy-ethyl-phthalic acid | | Definition date: | 2014-08-27 | | Last modified: | 2020-06-17 | | Release date: | 2014-12-10 | | Identifier: | 3-(2-carboxyethyl)benzene-1,2-dicarboxylic acid |
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 | | OP1 | | Name: | 1-[(1S)-4-carbamimidamido-1-carboxybutyl]-5-oxo-D-proline | | Formula: | C11 H18 N4 O5 | | SMILES: | O=C(O)C(N1C(=O)CCC1C(=O)O)CCCNC(=[N@H])N | | InChi: | InChI=1S/C11H18N4O5/c12-11(13)14-5-1-2-6(9(17)18)15-7(10(19)20)3-4-8(15)16/h6-7H,1-5H2,(H,17,18)(H,19,20)(H4,12,13,14)/t6-,7+/m0/s1 | | Synonyms: | Pyronopaline | | Definition date: | 2014-02-28 | | Last modified: | 2020-06-17 | | Release date: | 2014-10-22 | | Identifier: | 1-[(1S)-4-carbamimidamido-1-carboxybutyl]-5-oxo-D-proline |
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 | | 3K8 | | Name: | (14aR)-2,3,6-trimethoxy-11,12,13,14,14a,15-hexahydro-9H-dibenzo[f,h]pyrido[1,2-b]isoquinoline | | Formula: | C24 H27 N O3 | | SMILES: | O(c2ccc1c5c(c3c(c1c2)cc(OC)c(OC)c3)CC4N(CCCC4)C5)C | | InChi: | InChI=1S/C24H27NO3/c1-26-16-7-8-17-19(11-16)21-13-24(28-3)23(27-2)12-20(21)18-10-15-6-4-5-9-25(15)14-22(17)18/h7-8,11-13,15H,4-6,9-10,14H2,1-3H3/t15-/m1/s1 | | Synonyms: | Cryptopleurine | | Definition date: | 2014-09-01 | | Last modified: | 2020-06-17 | | Release date: | 2014-10-22 | | Identifier: | (14aR)-2,3,6-trimethoxy-11,12,13,14,14a,15-hexahydro-9H-dibenzo[f,h]pyrido[1,2-b]isoquinoline |
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 | | 3KA | | Name: | 1-(2-deoxy-5-O-phosphono-beta-L-erythro-pentofuranosyl)pyrimidine-2,4(1H,3H)-dione | | Formula: | C9 H13 N2 O8 P | | SMILES: | O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)CC2O | | InChi: | InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m1/s1 | | Synonyms: | L-2'-DEOXYURIDINE-5'-MONOPHOSPHATE | | Definition date: | 2014-09-03 | | Last modified: | 2020-06-17 | | Release date: | 2015-05-06 | | Identifier: | 1-(2-deoxy-5-O-phosphono-beta-L-erythro-pentofuranosyl)pyrimidine-2,4(1H,3H)-dione |
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 | | 3KE | | Name: | 4-{[({3-[2-(4-methoxybenzyl)-2H-tetrazol-5-yl]phenyl}carbonyl)amino]methyl}benzoic acid | | Formula: | C24 H21 N5 O4 | | SMILES: | O=C(O)c1ccc(cc1)CNC(=O)c4cccc(c2nn(nn2)Cc3ccc(OC)cc3)c4 | | InChi: | InChI=1S/C24H21N5O4/c1-33-21-11-7-17(8-12-21)15-29-27-22(26-28-29)19-3-2-4-20(13-19)23(30)25-14-16-5-9-18(10-6-16)24(31)32/h2-13H,14-15H2,1H3,(H,25,30)(H,31,32) | | Synonyms: | 4-((3-(2-(4-methoxybenzyl)-2H-tetrazol-5-yl)benzamido)methyl)benzoic acid | | Definition date: | 2009-10-29 | | Last modified: | 2020-06-17 | | Identifier: | 4-{[({3-[2-(4-methoxybenzyl)-2H-tetrazol-5-yl]phenyl}carbonyl)amino]methyl}benzoic acid |
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 | | OPD | | Name: | 9R,13R-12-OXOPHYTODIENOIC ACID | | Formula: | C18 H28 O3 | | SMILES: | O=C1C=CC(CCCCCCCC(=O)O)C1C/C=C/CC | | InChi: | InChI=1S/C18H28O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,13-16H,2,4-6,8-12H2,1H3,(H,20,21)/t15-,16-/m1/s1 | | Synonyms: | 9R,13R-OPDA | | Definition date: | 2001-04-06 | | Last modified: | 2020-06-17 | | Identifier: | 8-[(1R,5R)-4-oxo-5-pent-2-en-1-ylcyclopent-2-en-1-yl]octanoic acid |
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 | | OPY | | Name: | (3S)-4-oxo-4-piperidin-1-ylbutane-1,3-diamine | | Formula: | C9 H19 N3 O | | SMILES: | O=C(N1CCCCC1)C(N)CCN | | InChi: | InChI=1S/C9H19N3O/c10-5-4-8(11)9(13)12-6-2-1-3-7-12/h8H,1-7,10-11H2/t8-/m0/s1 | | Synonyms: | GSK237826A | | Definition date: | 2010-05-17 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-2,4-diamino-1-(piperidin-1-yl)butan-1-one |
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 | | 3LR | | Name: | 3,6-dideoxy-L-arabino-hexonic acid | | Formula: | C6 H12 O5 | | SMILES: | O=C(O)C(O)CC(O)C(O)C | | InChi: | InChI=1S/C6H12O5/c1-3(7)4(8)2-5(9)6(10)11/h3-5,7-9H,2H2,1H3,(H,10,11)/t3-,4+,5+/m0/s1 | | Synonyms: | 3-deoxy-L-rhamnonic acid | | Definition date: | 2008-05-01 | | Last modified: | 2020-06-17 | | Identifier: | 3,6-dideoxy-L-arabino-hexonic acid |
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 | | OQR | | Name: | {(2R)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol | | Formula: | C14 H21 N3 O3 | | SMILES: | C2Cc1cc(CO)c(cc1NC2CNC(C)C)[N+]([O-])=O | | InChi: | InChI=1S/C14H21N3O3/c1-9(2)15-7-12-4-3-10-5-11(8-18)14(17(19)20)6-13(10)16-12/h5-6,9,12,15-16,18H,3-4,7-8H2,1-2H3/t12-/m1/s1 | | Synonyms: | oxamniquine | | Definition date: | 2015-06-11 | | Last modified: | 2020-06-17 | | Release date: | 2015-09-30 | | Identifier: | {(2R)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol |
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 | | 3M0 | | Name: | 2-azanyl-3-methyl-benzoic acid | | Formula: | C8 H9 N O2 | | SMILES: | O=C(O)c1cccc(c1N)C | | InChi: | InChI=1S/C8H9NO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,9H2,1H3,(H,10,11) | | Synonyms: | 3-methylanthranilate | | Definition date: | 2014-02-06 | | Last modified: | 2020-06-17 | | Release date: | 2014-04-23 | | Identifier: | 2-amino-3-methylbenzoic acid |
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 | | ORE | | Name: | 4-(2,7-DIFLUORO-6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)ISOPHTHALIC ACID | | Formula: | C21 H10 F2 O7 | | SMILES: | O=C(O)c4ccc(C=1c3c(OC=2C=1C=C(F)C(=O)C=2)cc(O)c(F)c3)c(C(=O)O)c4 | | InChi: | InChI=1S/C21H10F2O7/c22-13-4-11-17(6-15(13)24)30-18-7-16(25)14(23)5-12(18)19(11)9-2-1-8(20(26)27)3-10(9)21(28)29/h1-7,24H,(H,26,27)(H,28,29) | | Synonyms: | OREGON GREEN 488 CARBOXYLATE | | Definition date: | 2005-07-21 | | Last modified: | 2020-06-17 | | Identifier: | 4-(2,7-difluoro-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzene-1,3-dicarboxylic acid |
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 | | 3MI | | Name: | 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid | | Formula: | C14 H7 Cl2 N O3 | | SMILES: | O=C(O)c1ccc2nc(oc2c1)c3cc(Cl)cc(Cl)c3 | | InChi: | InChI=1S/C14H7Cl2NO3/c15-9-3-8(4-10(16)6-9)13-17-11-2-1-7(14(18)19)5-12(11)20-13/h1-6H,(H,18,19) | | Synonyms: | Tafamidis | | Definition date: | 2010-04-20 | | Last modified: | 2020-06-17 | | Identifier: | 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid |
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 | | 3MO | | Name: | 3-METHYL-1,3-OXAZOLIDIN-2-ONE | | Formula: | C4 H7 N O2 | | SMILES: | O=C1OCCN1C | | InChi: | InChI=1S/C4H7NO2/c1-5-2-3-7-4(5)6/h2-3H2,1H3 | | Synonyms: | 3-METHYL-2-OXAZOLIDINONE | | Definition date: | 2006-07-21 | | Last modified: | 2020-06-17 | | Identifier: | 3-methyl-1,3-oxazolidin-2-one |
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 | | 3MS | | Name: | N-{3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydropyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7
-yl}methanesulfonamide | | Formula: | C20 H23 N5 O6 S2 | | SMILES: | O=S(=O)(Nc1ccc2N=C(NS(=O)(=O)c2c1)C4=C(O)c3cccn3N(C4=O)CCC(C)C)C | | InChi: | InChI=1S/C20H23N5O6S2/c1-12(2)8-10-25-20(27)17(18(26)15-5-4-9-24(15)25)19-21-14-7-6-13(22-32(3,28)29)11-16(14)33(30,31)23-19/h4-7,9,11-12,22,26H,8,10H2,1-3H3,(H,21,23) | | Synonyms: | N-{3-[4-Hydroxy-1-(3-methyl-butyl)-2-oxo-1,2-dihydro-pyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxo-1,2-dihydro-1lambda6-benzo
[1,2,4]thiadiazin-7-yl}-methanesulfonamide | | Definition date: | 2008-04-01 | | Last modified: | 2020-06-17 | | Identifier: | N-{3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydropyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide |
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 | | 3N6 | | Name: | N-{(1S)-5-amino-1-[(4-pyridin-4-ylpiperazin-1-yl)carbonyl]pentyl}-3,5-dibromo-Nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3
(2H)-yl)piperidin-1-yl]carbonyl}-D-tyrosinamide | | Formula: | C38 H47 Br2 N9 O5 | | SMILES: | O=C(N2CCN(c1ccncc1)CC2)C(NC(=O)C(NC(=O)N5CCC(N4C(=O)Nc3c(cccc3)C4)CC5)Cc6cc(Br)c(O)c(Br)c6)CCCCN | | InChi: | InChI=1S/C38H47Br2N9O5/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53)/t32-,33+/m0/s1 | | Synonyms: | Olcegepant | | Definition date: | 2010-06-07 | | Last modified: | 2020-06-17 | | Identifier: | N-{(2S)-6-amino-1-oxo-1-[4-(pyridin-4-yl)piperazin-1-yl]hexan-2-yl}-3,5-dibromo-Nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3(2H)-yl)piperidin-1-yl]carbonyl}-D-tyrosinamide |
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 | | OSB | | Name: | 2-SUCCINYLBENZOATE | | Formula: | C11 H10 O5 | | SMILES: | O=C(O)c1ccccc1C(=O)CCC(=O)O | | InChi: | InChI=1S/C11H10O5/c12-9(5-6-10(13)14)7-3-1-2-4-8(7)11(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16) | | Synonyms: | O-SUCCINYLBENZOATE | | Definition date: | 2000-08-11 | | Last modified: | 2020-06-17 | | Identifier: | 2-(3-carboxypropanoyl)benzoic acid |
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 | | OSP | | Name: | SULTHIAME | | Formula: | C10 H14 N2 O4 S2 | | SMILES: | O=S2(=O)N(c1ccc(cc1)S(=O)(=O)N)CCCC2 | | InChi: | InChI=1S/C10H14N2O4S2/c11-18(15,16)10-5-3-9(4-6-10)12-7-1-2-8-17(12,13)14/h3-6H,1-2,7-8H2,(H2,11,15,16) | | Synonyms: | 4-(1,1-DIOXIDO-1,2-THIAZINAN-2-YL)BENZENESULFONAMIDE | | Definition date: | 2007-06-21 | | Last modified: | 2020-06-17 | | Identifier: | 4-(1,1-dioxido-1,2-thiazinan-2-yl)benzenesulfonamide |
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 | | 3NU | | Name: | 4-[3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine | | Formula: | C16 H24 N6 | | SMILES: | n2c(c1cnnc1C(C)C)ccnc2NC3CCN(C)CC3 | | InChi: | InChI=1S/C16H24N6/c1-11(2)15-13(10-18-21-15)14-4-7-17-16(20-14)19-12-5-8-22(3)9-6-12/h4,7,10-12H,5-6,8-9H2,1-3H3,(H,18,21)(H,17,19,20) | | Synonyms: | 4-(3-isopropyl-1H-pyrazol-4-yl)-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine | | Definition date: | 2010-07-09 | | Last modified: | 2020-06-17 | | Identifier: | N-(1-methylpiperidin-4-yl)-4-[3-(propan-2-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine |
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 | | 3NV | | Name: | 4-[5-chloro-3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-ylpyridin-2-yl)pyrimidin-2-amine | | Formula: | C19 H23 Cl N8 | | SMILES: | Clc4c(c1nc(ncc1)Nc3ncc(N2CCNCC2)cc3)c(nn4)C(C)C | | InChi: | InChI=1S/C19H23ClN8/c1-12(2)17-16(18(20)27-26-17)14-5-6-22-19(24-14)25-15-4-3-13(11-23-15)28-9-7-21-8-10-28/h3-6,11-12,21H,7-10H2,1-2H3,(H,26,27)(H,22,23,24,25) | | Synonyms: | 4-(5-chloro-3-isopropyl-1H-pyrazol-4-yl)-N-(5-(piperazin-1-yl)pyridin-2-yl)pyrimidin-2-amine | | Definition date: | 2010-07-09 | | Last modified: | 2020-06-17 | | Identifier: | 4-[5-chloro-3-(propan-2-yl)-1H-pyrazol-4-yl]-N-[5-(piperazin-1-yl)pyridin-2-yl]pyrimidin-2-amine |
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