| QUA | Name: | 8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-2-CARBOXYLIC ACID | Formula: | C12 H13 N O4 | SMILES: | O=C(O)c1nc2c(c(c1)C(O)C)C=CCC2O | InChi: | InChI=1S/C12H13NO4/c1-6(14)8-5-9(12(16)17)13-11-7(8)3-2-4-10(11)15/h2-3,5-6,10,14-15H,4H2,1H3,(H,16,17)/t6-,10-/m0/s1 | Definition date: | 2000-11-02 | Last modified: | 2023-11-03 | Identifier: | (8S)-8-hydroxy-4-[(1S)-1-hydroxyethyl]-7,8-dihydroquinoline-2-carboxylic acid |
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| 3PX | Name: | (3S)-3-(propan-2-yloxy)-L-proline | Formula: | C8 H15 N O3 | SMILES: | O=C(O)C1NCCC1OC(C)C | InChi: | InChI=1S/C8H15NO3/c1-5(2)12-6-3-4-9-7(6)8(10)11/h5-7,9H,3-4H2,1-2H3,(H,10,11)/t6-,7-/m0/s1 | Definition date: | 2011-04-26 | Last modified: | 2023-11-03 | Identifier: | (3S)-3-(propan-2-yloxy)-L-proline |
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| QUQ | Name: | (4S)-2-acetyl-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | Formula: | C21 H18 Cl N3 O2 | SMILES: | CC(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C21H18ClN3O2/c1-13(26)25-11-15-6-7-16(22)8-18(15)19(12-25)21(27)24-20-10-23-9-14-4-2-3-5-17(14)20/h2-10,19H,11-12H2,1H3,(H,24,27)/t19-/m1/s1 | Definition date: | 2023-08-21 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (4S)-2-acetyl-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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| QV0 | Name: | (3'R)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,3'-piperidin]-2'-one | Formula: | C22 H19 Cl N2 O2 | SMILES: | Clc1ccc2OCCC3(CCCN(C3=O)c3cncc4ccccc43)c2c1 | InChi: | InChI=1S/C22H19ClN2O2/c23-16-6-7-20-18(12-16)22(9-11-27-20)8-3-10-25(21(22)26)19-14-24-13-15-4-1-2-5-17(15)19/h1-2,4-7,12-14H,3,8-11H2/t22-/m1/s1 | Definition date: | 2023-08-21 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (3'R)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,3'-piperidin]-2'-one |
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| 3QN | Name: | (E)-N~6~-{2-hydroxy-3-methyl-6-[(phosphonooxy)methyl]benzylidene}-L-lysine | Formula: | C15 H23 N2 O7 P | SMILES: | O=C(O)C(N)CCCC/N=C/c1c(ccc(c1O)C)COP(=O)(O)O | InChi: | InChI=1S/C15H23N2O7P/c1-10-5-6-11(9-24-25(21,22)23)12(14(10)18)8-17-7-3-2-4-13(16)15(19)20/h5-6,8,13,18H,2-4,7,9,16H2,1H3,(H,19,20)(H2,21,22,23)/b17-8+/t13-/m0/s1 | Definition date: | 2011-02-09 | Last modified: | 2023-11-03 | Identifier: | (E)-N~6~-{2-hydroxy-3-methyl-6-[(phosphonooxy)methyl]benzylidene}-L-lysine |
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| QV9 | Name: | (3R)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)pyrrolidin-2-one | Formula: | C19 H15 Cl N2 O | SMILES: | Clc1cccc(c1)C1CCN(c2cncc3ccccc23)C1=O | InChi: | InChI=1S/C19H15ClN2O/c20-15-6-3-5-13(10-15)17-8-9-22(19(17)23)18-12-21-11-14-4-1-2-7-16(14)18/h1-7,10-12,17H,8-9H2/t17-/m1/s1 | Definition date: | 2023-08-21 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (3R)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)pyrrolidin-2-one |
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| QVG | Name: | (4R)-6-chloro-7-fluoro-N-(6-fluoroisoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide | Formula: | C19 H13 Cl F2 N2 O2 | SMILES: | Fc1cc2c(cc1)cncc2NC(=O)C1CCOc2cc(F)c(Cl)cc21 | InChi: | InChI=1S/C19H13ClF2N2O2/c20-15-6-14-12(3-4-26-18(14)7-16(15)22)19(25)24-17-9-23-8-10-1-2-11(21)5-13(10)17/h1-2,5-9,12H,3-4H2,(H,24,25)/t12-/m1/s1 | Definition date: | 2023-08-21 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (4R)-6-chloro-7-fluoro-N-(6-fluoroisoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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| QVJ | Name: | (4R)-6-chloro-N-(isoquinolin-4-yl)-4-{[2-(methylamino)-2-oxoethoxy]methyl}-3,4-dihydro-2H-1-benzopyran-4-carboxamide | Formula: | C23 H22 Cl N3 O4 | SMILES: | CNC(=O)COCC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C23H22ClN3O4/c1-25-21(28)13-30-14-23(8-9-31-20-7-6-16(24)10-18(20)23)22(29)27-19-12-26-11-15-4-2-3-5-17(15)19/h2-7,10-12H,8-9,13-14H2,1H3,(H,25,28)(H,27,29)/t23-/m0/s1 | Definition date: | 2023-08-21 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (4R)-6-chloro-N-(isoquinolin-4-yl)-4-{[2-(methylamino)-2-oxoethoxy]methyl}-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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| QVU | Name: | (4R)-6,7-dichloro-N-(2,7-naphthyridin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide | Formula: | C18 H14 Cl2 N4 O | SMILES: | Clc1cc2c(cc1Cl)NCCC2C(=O)Nc1cncc2cnccc21 | InChi: | InChI=1S/C18H14Cl2N4O/c19-14-5-13-12(2-4-23-16(13)6-15(14)20)18(25)24-17-9-22-8-10-7-21-3-1-11(10)17/h1,3,5-9,12,23H,2,4H2,(H,24,25)/t12-/m1/s1 | Definition date: | 2023-08-21 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (4R)-6,7-dichloro-N-(2,7-naphthyridin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide |
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| QW1 | Name: | (4S)-6-chloro-N~4~-(isoquinolin-4-yl)-3,4-dihydroisoquinoline-2,4(1H)-dicarboxamide | Formula: | C20 H17 Cl N4 O2 | SMILES: | NC(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C20H17ClN4O2/c21-14-6-5-13-10-25(20(22)27)11-17(16(13)7-14)19(26)24-18-9-23-8-12-3-1-2-4-15(12)18/h1-9,17H,10-11H2,(H2,22,27)(H,24,26)/t17-/m1/s1 | Definition date: | 2023-08-21 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (4S)-6-chloro-N~4~-(isoquinolin-4-yl)-3,4-dihydroisoquinoline-2,4(1H)-dicarboxamide |
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| QWL | Name: | (4R)-6,7-dichloro-N-(6-fluoroisoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide | Formula: | C19 H14 Cl2 F N3 O | SMILES: | Fc1cc2c(cc1)cncc2NC(=O)C1CCNc2cc(Cl)c(Cl)cc21 | InChi: | InChI=1S/C19H14Cl2FN3O/c20-15-6-14-12(3-4-24-17(14)7-16(15)21)19(26)25-18-9-23-8-10-1-2-11(22)5-13(10)18/h1-2,5-9,12,24H,3-4H2,(H,25,26)/t12-/m1/s1 | Definition date: | 2023-08-21 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (4R)-6,7-dichloro-N-(6-fluoroisoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide |
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| QWU | Name: | (3S)-5-chloro-N-(isoquinolin-4-yl)-3-methyl-2,3-dihydro-1H-indole-3-carboxamide | Formula: | C19 H16 Cl N3 O | SMILES: | Clc1cc2c(cc1)NCC2(C)C(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C19H16ClN3O/c1-19(11-22-16-7-6-13(20)8-15(16)19)18(24)23-17-10-21-9-12-4-2-3-5-14(12)17/h2-10,22H,11H2,1H3,(H,23,24)/t19-/m1/s1 | Definition date: | 2023-08-21 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (3S)-5-chloro-N-(isoquinolin-4-yl)-3-methyl-2,3-dihydro-1H-indole-3-carboxamide |
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| QX3 | Name: | (4R)-6,7-dichloro-N-(4-cyclopropylpyridin-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide | Formula: | C18 H17 Cl2 N3 O | SMILES: | Clc1cc2c(cc1Cl)NCCC2C(=O)Nc1cnccc1C1CC1 | InChi: | InChI=1S/C18H17Cl2N3O/c19-14-7-13-12(4-6-22-16(13)8-15(14)20)18(24)23-17-9-21-5-3-11(17)10-1-2-10/h3,5,7-10,12,22H,1-2,4,6H2,(H,23,24)/t12-/m1/s1 | Definition date: | 2023-08-21 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (4R)-6,7-dichloro-N-(4-cyclopropylpyridin-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide |
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| QX9 | Name: | 2-(3-chlorophenyl)-N-(6-methylisoquinolin-4-yl)acetamide | Formula: | C18 H15 Cl N2 O | SMILES: | Clc1cccc(c1)CC(=O)Nc1cncc2ccc(C)cc21 | InChi: | InChI=1S/C18H15ClN2O/c1-12-5-6-14-10-20-11-17(16(14)7-12)21-18(22)9-13-3-2-4-15(19)8-13/h2-8,10-11H,9H2,1H3,(H,21,22) | Definition date: | 2023-08-21 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | 2-(3-chlorophenyl)-N-(6-methylisoquinolin-4-yl)acetamide |
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| QXI | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-4-{2-[(4R,8S)-8-methyl-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-2-oxoethyl}-3,4-dihydro-2H-1-benzopyran-4-carboxamide | Formula: | C27 H25 Cl N6 O3 | SMILES: | CC1c2nncn2CCN1C(=O)CC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C27H25ClN6O3/c1-17-25-32-30-16-33(25)9-10-34(17)24(35)13-27(8-11-37-23-7-6-19(28)12-21(23)27)26(36)31-22-15-29-14-18-4-2-3-5-20(18)22/h2-7,12,14-17H,8-11,13H2,1H3,(H,31,36)/t17-,27-/m0/s1 | Definition date: | 2023-08-21 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (4S)-6-chloro-N-(isoquinolin-4-yl)-4-{2-[(4R,8S)-8-methyl-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-2-oxoethyl}-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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| QXR | Name: | N-(4-tert-butoxypyridin-3-yl)-2-(3-chlorophenyl)acetamide | Formula: | C17 H19 Cl N2 O2 | SMILES: | O=C(Nc1cnccc1OC(C)(C)C)Cc1cccc(Cl)c1 | InChi: | InChI=1S/C17H19ClN2O2/c1-17(2,3)22-15-7-8-19-11-14(15)20-16(21)10-12-5-4-6-13(18)9-12/h4-9,11H,10H2,1-3H3,(H,20,21) | Definition date: | 2023-08-21 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | N-(4-tert-butoxypyridin-3-yl)-2-(3-chlorophenyl)acetamide |
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| QXX | Name: | 2-(3-chlorophenyl)-N-[4-(trifluoromethyl)pyridin-3-yl]acetamide | Formula: | C14 H10 Cl F3 N2 O | SMILES: | O=C(Nc1cnccc1C(F)(F)F)Cc1cccc(Cl)c1 | InChi: | InChI=1S/C14H10ClF3N2O/c15-10-3-1-2-9(6-10)7-13(21)20-12-8-19-5-4-11(12)14(16,17)18/h1-6,8H,7H2,(H,20,21) | Definition date: | 2023-08-21 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | 2-(3-chlorophenyl)-N-[4-(trifluoromethyl)pyridin-3-yl]acetamide |
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| QY6 | Name: | (3R)-6'-chloro-1-(isoquinolin-4-yl)-2',3'-dihydro-1'H-spiro[piperidine-3,4'-quinolin]-2-one | Formula: | C22 H20 Cl N3 O | SMILES: | O=C1N(CCCC11CCNc2ccc(Cl)cc21)c1cncc2ccccc21 | InChi: | InChI=1S/C22H20ClN3O/c23-16-6-7-19-18(12-16)22(9-10-25-19)8-3-11-26(21(22)27)20-14-24-13-15-4-1-2-5-17(15)20/h1-2,4-7,12-14,25H,3,8-11H2/t22-/m1/s1 | Definition date: | 2023-08-21 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (3R)-6'-chloro-1-(isoquinolin-4-yl)-2',3'-dihydro-1'H-spiro[piperidine-3,4'-quinolin]-2-one |
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| QYG | Name: | {(4E)-2-[(1S)-1,4-diamino-4-oxobutyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid | Formula: | C16 H18 N4 O5 | SMILES: | C(=O)(O)CN1C(C(CCC(N)=O)N)=NC(C1=O)=Cc2ccc(O)cc2 | InChi: | InChI=1S/C16H18N4O5/c17-11(5-6-13(18)22)15-19-12(16(25)20(15)8-14(23)24)7-9-1-3-10(21)4-2-9/h1-4,7,11,21H,5-6,8,17H2,(H2,18,22)(H,23,24)/b12-7+/t11-/m0/s1 | Definition date: | 2019-01-16 | Last modified: | 2023-11-03 | Release date: | 2019-11-06 | Identifier: | {(4E)-2-[(1S)-1,4-diamino-4-oxobutyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid |
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| 3TY | Name: | 3-[(3E)-3-(BENZYLHYDRAZONO)-4-HYDROXY-6-OXOCYCLOHEXA-1,4-DIEN-1-YL]-L-ALANINE | Formula: | C16 H17 N3 O4 | SMILES: | O=C2C=C(O)/C(=N/NCc1ccccc1)C=C2CC(C(=O)O)N | InChi: | InChI=1S/C16H17N3O4/c17-12(16(22)23)6-11-7-13(15(21)8-14(11)20)19-18-9-10-4-2-1-3-5-10/h1-5,7-8,12,18,21H,6,9,17H2,(H,22,23)/b19-13+/t12-/m0/s1 | Definition date: | 2004-08-11 | Last modified: | 2023-11-03 | Identifier: | 3-[(3E)-3-(benzylhydrazono)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine |
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| QYI | Name: | (4S)-6-chloro-N-(6-fluoroisoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide | Formula: | C20 H16 Cl F N2 O3 | SMILES: | Fc1cc2c(cc1)cncc2NC(=O)C1(CCOc2ccc(Cl)cc21)OC | InChi: | InChI=1S/C20H16ClFN2O3/c1-26-20(6-7-27-18-5-3-13(21)8-16(18)20)19(25)24-17-11-23-10-12-2-4-14(22)9-15(12)17/h2-5,8-11H,6-7H2,1H3,(H,24,25)/t20-/m0/s1 | Definition date: | 2023-08-21 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (4S)-6-chloro-N-(6-fluoroisoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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| 3U0 | Name: | 2-[4-(carbamimidamidomethyl)phenyl]ethanoic acid | Formula: | C10 H13 N3 O2 | SMILES: | NC(=N)NCc1ccc(CC(O)=O)cc1 | InChi: | InChI=1S/C10H13N3O2/c11-10(12)13-6-8-3-1-7(2-4-8)5-9(14)15/h1-4H,5-6H2,(H,14,15)(H4,11,12,13) | Synonyms: | 2-[4-[(diaminomethylideneamino)methyl]phenyl]acetic acid | Definition date: | 2014-10-24 | Last modified: | 2023-11-03 | Release date: | 2022-10-19 | Identifier: | 2-[4-(carbamimidamidomethyl)phenyl]ethanoic acid |
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| QYN | Name: | (4S)-6-chloro-2-(1H-imidazole-2-sulfonyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | Formula: | C22 H18 Cl N5 O3 S | SMILES: | O=S(=O)(c1ncc[NH]1)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C22H18ClN5O3S/c23-16-6-5-15-12-28(32(30,31)22-25-7-8-26-22)13-19(18(15)9-16)21(29)27-20-11-24-10-14-3-1-2-4-17(14)20/h1-11,19H,12-13H2,(H,25,26)(H,27,29)/t19-/m1/s1 | Definition date: | 2023-08-21 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (4S)-6-chloro-2-(1H-imidazole-2-sulfonyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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| QYR | Name: | (4S)-6-chloro-2-(cyclopropanesulfonyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | Formula: | C22 H20 Cl N3 O3 S | SMILES: | O=S(=O)(C1CC1)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C22H20ClN3O3S/c23-16-6-5-15-12-26(30(28,29)17-7-8-17)13-20(19(15)9-16)22(27)25-21-11-24-10-14-3-1-2-4-18(14)21/h1-6,9-11,17,20H,7-8,12-13H2,(H,25,27)/t20-/m1/s1 | Definition date: | 2023-08-21 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (4S)-6-chloro-2-(cyclopropanesulfonyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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| QYX | Name: | 2-[4-[(4-hydroxyphenyl)methyl]-2-(3-methylsulfanylpropanimidoyl)-5-oxidanylidene-imidazol-1-ium-1-yl]ethanoic acid | Formula: | C16 H18 N3 O4 S | SMILES: | CSCCC(=N)C1=[N+](CC(O)=O)C(=O)C(=N1)Cc2ccc(O)cc2 | InChi: | InChI=1S/C16H17N3O4S/c1-24-7-6-12(17)15-18-13(16(23)19(15)9-14(21)22)8-10-2-4-11(20)5-3-10/h2-5,17H,6-9H2,1H3,(H-,20,21,22)/p+1/b17-12- | Synonyms: | CHROMOPHORE (MET-TYR-GLY) | Definition date: | 2022-11-18 | Last modified: | 2023-11-03 | Release date: | 2023-02-15 | Identifier: | 2-[4-[(4-hydroxyphenyl)methyl]-2-(3-methylsulfanylpropanimidoyl)-5-oxidanylidene-imidazol-1-ium-1-yl]ethanoic acid |
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