| 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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| SJ8 | Name: | (~{E})-3-(4-fluorophenyl)prop-2-enoic acid | Formula: | C9 H7 F O2 | SMILES: | OC(=O)C=Cc1ccc(F)cc1 | InChi: | InChI=1S/C9H7FO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)/b6-3+ | Definition date: | 2020-11-16 | Last modified: | 2023-11-03 | Release date: | 2021-12-01 | Identifier: | (~{E})-3-(4-fluorophenyl)prop-2-enoic acid |
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| N7L | Name: | (1R,2R)-2-(fluoromethyl)-N-(4-methylpyridin-3-yl)cyclopropane-1-carboxamide | Formula: | C11 H13 F N2 O | SMILES: | O=C(Nc1cnccc1C)C1CC1CF | InChi: | InChI=1S/C11H13FN2O/c1-7-2-3-13-6-10(7)14-11(15)9-4-8(9)5-12/h2-3,6,8-9H,4-5H2,1H3,(H,14,15)/t8-,9+/m0/s1 | Definition date: | 2023-08-16 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (1R,2R)-2-(fluoromethyl)-N-(4-methylpyridin-3-yl)cyclopropane-1-carboxamide |
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| QIL | Name: | N-formyl-L-isoleucine | Formula: | C7 H13 N O3 | SMILES: | O=CNC(C(=O)O)C(CC)C | InChi: | InChI=1S/C7H13NO3/c1-3-5(2)6(7(10)11)8-4-9/h4-6H,3H2,1-2H3,(H,8,9)(H,10,11)/t5-,6-/m0/s1 | Definition date: | 2011-05-25 | Last modified: | 2023-11-03 | Identifier: | N-formyl-L-isoleucine |
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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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| QIM | Name: | (4R)-6-chloro-N-[6-(methanesulfonyl)isoquinolin-4-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide | Formula: | C20 H17 Cl N2 O4 S | SMILES: | CS(=O)(=O)c1cc2c(cc1)cncc2NC(=O)C1CCOc2ccc(Cl)cc21 | InChi: | InChI=1S/C20H17ClN2O4S/c1-28(25,26)14-4-2-12-10-22-11-18(16(12)9-14)23-20(24)15-6-7-27-19-5-3-13(21)8-17(15)19/h2-5,8-11,15H,6-7H2,1H3,(H,23,24)/t15-/m1/s1 | Definition date: | 2023-08-18 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (4R)-6-chloro-N-[6-(methanesulfonyl)isoquinolin-4-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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| RQF | Name: | (4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-2-[2-oxo-2-(propylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | Formula: | C24 H22 Cl F N4 O3 | SMILES: | Fc1ccc2c(c1)cncc2NC(=O)C1CN(CC(=O)NCCC)C(=O)c2ccc(Cl)cc21 | InChi: | InChI=1S/C24H22ClFN4O3/c1-2-7-28-22(31)13-30-12-20(19-9-15(25)3-5-18(19)24(30)33)23(32)29-21-11-27-10-14-8-16(26)4-6-17(14)21/h3-6,8-11,20H,2,7,12-13H2,1H3,(H,28,31)(H,29,32)/t20-/m1/s1 | Definition date: | 2023-08-22 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-2-[2-oxo-2-(propylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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| 0OB | Name: | 3-(1-benzothiophen-2-yl)propanoic acid | Formula: | C11 H10 O2 S | SMILES: | O=C(O)CCc2sc1ccccc1c2 | InChi: | InChI=1S/C11H10O2S/c12-11(13)6-5-9-7-8-3-1-2-4-10(8)14-9/h1-4,7H,5-6H2,(H,12,13) | Definition date: | 2012-03-30 | Last modified: | 2023-11-03 | Release date: | 2012-10-05 | Identifier: | 3-(1-benzothiophen-2-yl)propanoic acid |
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| QIT | Name: | (2S)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-2-(methylamino)acetamide | Formula: | C18 H15 Cl2 N3 O | SMILES: | Clc1ccc(cc1Cl)C(NC)C(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C18H15Cl2N3O/c1-21-17(11-6-7-14(19)15(20)8-11)18(24)23-16-10-22-9-12-4-2-3-5-13(12)16/h2-10,17,21H,1H3,(H,23,24)/t17-/m0/s1 | Definition date: | 2023-08-18 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (2S)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-2-(methylamino)acetamide |
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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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| RQO | Name: | 4-[2-(3-chlorophenyl)acetamido]-N,N-dimethylisoquinoline-6-carboxamide | Formula: | C20 H18 Cl N3 O2 | SMILES: | CN(C)C(=O)c1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1 | InChi: | InChI=1S/C20H18ClN3O2/c1-24(2)20(26)14-6-7-15-11-22-12-18(17(15)10-14)23-19(25)9-13-4-3-5-16(21)8-13/h3-8,10-12H,9H2,1-2H3,(H,23,25) | Definition date: | 2023-08-22 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | 4-[2-(3-chlorophenyl)acetamido]-N,N-dimethylisoquinoline-6-carboxamide |
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| N80 | Name: | 1-ethenyl-L-proline | Formula: | C7 H11 N O2 | SMILES: | O=C(O)C1N(C=C)CCC1 | InChi: | InChI=1S/C7H11NO2/c1-2-8-5-3-4-6(8)7(9)10/h2,6H,1,3-5H2,(H,9,10)/t6-/m0/s1 | Definition date: | 2014-11-25 | Last modified: | 2023-11-03 | Release date: | 2015-03-11 | Identifier: | 1-ethenyl-L-proline |
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| QIZ | Name: | (4R)-6-chloro-7-fluoro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide | Formula: | C19 H14 Cl F N2 O2 | SMILES: | Clc1cc2c(cc1F)OCCC2C(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C19H14ClFN2O2/c20-15-7-14-13(5-6-25-18(14)8-16(15)21)19(24)23-17-10-22-9-11-3-1-2-4-12(11)17/h1-4,7-10,13H,5-6H2,(H,23,24)/t13-/m1/s1 | Definition date: | 2023-08-18 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (4R)-6-chloro-7-fluoro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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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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| RD5 | Name: | 2-(5-chloro-2-{[(methanesulfonyl)amino]methyl}phenyl)-N-(isoquinolin-4-yl)acetamide | Formula: | C19 H18 Cl N3 O3 S | SMILES: | CS(=O)(=O)NCc1ccc(Cl)cc1CC(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C19H18ClN3O3S/c1-27(25,26)22-11-13-6-7-16(20)8-15(13)9-19(24)23-18-12-21-10-14-4-2-3-5-17(14)18/h2-8,10,12,22H,9,11H2,1H3,(H,23,24) | Definition date: | 2023-08-22 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | 2-(5-chloro-2-{[(methanesulfonyl)amino]methyl}phenyl)-N-(isoquinolin-4-yl)acetamide |
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| QJ6 | Name: | (2R)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-2-methoxyacetamide | Formula: | C18 H14 Cl2 N2 O2 | SMILES: | Clc1ccc(cc1Cl)C(OC)C(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C18H14Cl2N2O2/c1-24-17(11-6-7-14(19)15(20)8-11)18(23)22-16-10-21-9-12-4-2-3-5-13(12)16/h2-10,17H,1H3,(H,22,23)/t17-/m1/s1 | Definition date: | 2023-08-18 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (2R)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-2-methoxyacetamide |
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| KSI | Name: | 1-[(3S)-4-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)piperazin-1-yl]ethan-1-one | Formula: | C17 H25 Cl N2 O | SMILES: | CC(C)CC1CN(CCN1Cc1cc(Cl)ccc1)C(C)=O | InChi: | InChI=1S/C17H25ClN2O/c1-13(2)9-17-12-19(14(3)21)7-8-20(17)11-15-5-4-6-16(18)10-15/h4-6,10,13,17H,7-9,11-12H2,1-3H3/t17-/m0/s1 | Definition date: | 2023-08-14 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | 1-[(3S)-4-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)piperazin-1-yl]ethan-1-one |
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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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| OXJ | Name: | 1-[3,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine | Formula: | C10 H9 F6 N | SMILES: | CNCc1cc(cc(c1)C(F)(F)F)C(F)(F)F | InChi: | InChI=1S/C10H9F6N/c1-17-5-6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-4,17H,5H2,1H3 | Definition date: | 2019-07-15 | Last modified: | 2023-11-03 | Release date: | 2019-12-11 | Identifier: | 1-[3,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine |
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| QJF | Name: | (4R)-6-chloro-N-(6-methoxyisoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide | Formula: | C20 H17 Cl N2 O3 | SMILES: | COc1cc2c(cc1)cncc2NC(=O)C1CCOc2ccc(Cl)cc21 | InChi: | InChI=1S/C20H17ClN2O3/c1-25-14-4-2-12-10-22-11-18(16(12)9-14)23-20(24)15-6-7-26-19-5-3-13(21)8-17(15)19/h2-5,8-11,15H,6-7H2,1H3,(H,23,24)/t15-/m1/s1 | Definition date: | 2023-08-18 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (4R)-6-chloro-N-(6-methoxyisoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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| RDK | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide | Formula: | C19 H16 Cl N3 O3 S | SMILES: | Clc1ccc2c(c1)C(C)(CNS2(=O)=O)C(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C19H16ClN3O3S/c1-19(11-22-27(25,26)17-7-6-13(20)8-15(17)19)18(24)23-16-10-21-9-12-4-2-3-5-14(12)16/h2-10,22H,11H2,1H3,(H,23,24)/t19-/m1/s1 | Definition date: | 2023-08-22 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (4S)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide |
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| QJL | Name: | (4R)-6-chloro-4-{[(N,N-dimethylglycyl)amino]methyl}-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide | Formula: | C24 H25 Cl N4 O3 | SMILES: | CN(C)CC(=O)NCC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C24H25ClN4O3/c1-29(2)14-22(30)27-15-24(9-10-32-21-8-7-17(25)11-19(21)24)23(31)28-20-13-26-12-16-5-3-4-6-18(16)20/h3-8,11-13H,9-10,14-15H2,1-2H3,(H,27,30)(H,28,31)/t24-/m0/s1 | Definition date: | 2023-08-18 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (4R)-6-chloro-4-{[(N,N-dimethylglycyl)amino]methyl}-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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| KSX | Name: | 2-(5-cyanopyridin-3-yl)-N-(4-methylpyridin-3-yl)acetamide | Formula: | C14 H12 N4 O | SMILES: | O=C(Nc1cnccc1C)Cc1cc(C#N)cnc1 | InChi: | InChI=1S/C14H12N4O/c1-10-2-3-16-9-13(10)18-14(19)5-11-4-12(6-15)8-17-7-11/h2-4,7-9H,5H2,1H3,(H,18,19) | Definition date: | 2023-08-14 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | 2-(5-cyanopyridin-3-yl)-N-(4-methylpyridin-3-yl)acetamide |
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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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| RRD | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-{2-[(oxetan-3-yl)amino]-2-oxoethyl}-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | Formula: | C24 H21 Cl N4 O4 | SMILES: | O=C(CN1CC(C(=O)Nc2cncc3ccccc32)c2cc(Cl)ccc2C1=O)NC1COC1 | InChi: | InChI=1S/C24H21ClN4O4/c25-15-5-6-18-19(7-15)20(10-29(24(18)32)11-22(30)27-16-12-33-13-16)23(31)28-21-9-26-8-14-3-1-2-4-17(14)21/h1-9,16,20H,10-13H2,(H,27,30)(H,28,31)/t20-/m1/s1 | Definition date: | 2023-08-22 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-{2-[(oxetan-3-yl)amino]-2-oxoethyl}-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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