| QFG | Name: | {(4E)-2-[(1E)-4-amino-4-oxobutanimidoyl]-4-benzylidene-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid | Formula: | C16 H16 N4 O4 | SMILES: | O=C1C(N=C(C(=[N@H])CCC(=O)N)N1CC(=O)O)=C/c2ccccc2 | InChi: | InChI=1S/C16H16N4O4/c17-11(6-7-13(18)21)15-19-12(8-10-4-2-1-3-5-10)16(24)20(15)9-14(22)23/h1-5,8,17H,6-7,9H2,(H2,18,21)(H,22,23)/b12-8+,17-11+ | Synonyms: | CHROMOPHORE (GLN-PHE-GLY) | Definition date: | 2011-10-13 | Last modified: | 2023-11-03 | Identifier: | {(4E)-2-[(1E)-4-amino-4-oxobutanimidoyl]-4-benzylidene-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid |
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| QFL | Name: | 2-(4-fluorophenyl)-N-(isoquinolin-4-yl)acetamide | Formula: | C17 H13 F N2 O | SMILES: | Fc1ccc(cc1)CC(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C17H13FN2O/c18-14-7-5-12(6-8-14)9-17(21)20-16-11-19-10-13-3-1-2-4-15(13)16/h1-8,10-11H,9H2,(H,20,21) | Definition date: | 2023-08-18 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | 2-(4-fluorophenyl)-N-(isoquinolin-4-yl)acetamide |
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| QFU | Name: | 2-(3-cyanophenyl)-N-(isoquinolin-4-yl)acetamide | Formula: | C18 H13 N3 O | SMILES: | N#Cc1cccc(c1)CC(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C18H13N3O/c19-10-14-5-3-4-13(8-14)9-18(22)21-17-12-20-11-15-6-1-2-7-16(15)17/h1-8,11-12H,9H2,(H,21,22) | Definition date: | 2023-08-18 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | 2-(3-cyanophenyl)-N-(isoquinolin-4-yl)acetamide |
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| QG3 | Name: | 2-(3,5-difluorophenyl)-N-(isoquinolin-4-yl)acetamide | Formula: | C17 H12 F2 N2 O | SMILES: | Fc1cc(cc(F)c1)CC(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C17H12F2N2O/c18-13-5-11(6-14(19)8-13)7-17(22)21-16-10-20-9-12-3-1-2-4-15(12)16/h1-6,8-10H,7H2,(H,21,22) | Definition date: | 2023-08-18 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | 2-(3,5-difluorophenyl)-N-(isoquinolin-4-yl)acetamide |
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| QGC | Name: | (4R)-6-chloro-N-(isoquinolin-4-yl)-1-[(4H-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide | Formula: | C22 H19 Cl N6 O | SMILES: | Clc1ccc2c(c1)C(CCN2Cc1nnc[NH]1)C(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C22H19ClN6O/c23-15-5-6-20-18(9-15)17(7-8-29(20)12-21-25-13-26-28-21)22(30)27-19-11-24-10-14-3-1-2-4-16(14)19/h1-6,9-11,13,17H,7-8,12H2,(H,27,30)(H,25,26,28)/t17-/m1/s1 | Definition date: | 2023-08-18 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (4R)-6-chloro-N-(isoquinolin-4-yl)-1-[(4H-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide |
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| QGO | Name: | (4S)-6-chloro-4-[2-(dimethylamino)-2-oxoethyl]-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide | Formula: | C23 H22 Cl N3 O3 | SMILES: | CN(C)C(=O)CC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C23H22ClN3O3/c1-27(2)21(28)12-23(9-10-30-20-8-7-16(24)11-18(20)23)22(29)26-19-14-25-13-15-5-3-4-6-17(15)19/h3-8,11,13-14H,9-10,12H2,1-2H3,(H,26,29)/t23-/m0/s1 | Definition date: | 2023-08-18 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (4S)-6-chloro-4-[2-(dimethylamino)-2-oxoethyl]-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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| QGX | Name: | (2R)-2-amino-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)acetamide | Formula: | C17 H13 Cl2 N3 O | SMILES: | Clc1ccc(cc1Cl)C(N)C(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C17H13Cl2N3O/c18-13-6-5-10(7-14(13)19)16(20)17(23)22-15-9-21-8-11-3-1-2-4-12(11)15/h1-9,16H,20H2,(H,22,23)/t16-/m1/s1 | Definition date: | 2023-08-18 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (2R)-2-amino-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)acetamide |
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| C4G | Name: | N~5~-[N-(3-aminopropyl)carbamimidoyl]-L-ornithine | Formula: | C9 H21 N5 O2 | SMILES: | NC(C(O)=O)CCCNC(=N)NCCCN | InChi: | InChI=1S/C9H21N5O2/c10-4-2-6-14-9(12)13-5-1-3-7(11)8(15)16/h7H,1-6,10-11H2,(H,15,16)(H3,12,13,14)/t7-/m0/s1 | Definition date: | 2017-09-13 | Last modified: | 2023-11-03 | Release date: | 2017-12-13 | Identifier: | N~5~-[N-(3-aminopropyl)carbamimidoyl]-L-ornithine |
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| QH6 | Name: | 2-(3-chloro-4-fluorophenyl)-N-(isoquinolin-4-yl)acetamide | Formula: | C17 H12 Cl F N2 O | SMILES: | Fc1ccc(cc1Cl)CC(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C17H12ClFN2O/c18-14-7-11(5-6-15(14)19)8-17(22)21-16-10-20-9-12-3-1-2-4-13(12)16/h1-7,9-10H,8H2,(H,21,22) | Definition date: | 2023-08-18 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | 2-(3-chloro-4-fluorophenyl)-N-(isoquinolin-4-yl)acetamide |
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| C4R | Name: | (R)-2-amino-3-(bicyclo[2.2.1]hepta-2,5-dien-7-ylthio)propanoic acid rhodium | Formula: | C10 H14 N O2 Rh S | SMILES: | N[CH](C[SH]1C2[CH]3CC[CH]2C4=C3[Rh+]14)C(O)=O | InChi: | InChI=1S/C10H13NO2S.Rh/c11-8(10(12)13)5-14-9-6-1-2-7(9)4-3-6 | Synonyms: | (bicyclo [2.2.1] hepta-2-ene)-cystein rhodium | Definition date: | 2008-11-11 | Last modified: | 2023-11-03 |
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| QHI | Name: | (4R)-6,8-dichloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide | Formula: | C19 H14 Cl2 N2 O2 | SMILES: | Clc1cc(Cl)c2OCCC(c2c1)C(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C19H14Cl2N2O2/c20-12-7-15-14(5-6-25-18(15)16(21)8-12)19(24)23-17-10-22-9-11-3-1-2-4-13(11)17/h1-4,7-10,14H,5-6H2,(H,23,24)/t14-/m1/s1 | Definition date: | 2023-08-18 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (4R)-6,8-dichloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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| QHU | Name: | (4R)-6,7-dichloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide | Formula: | C19 H14 Cl2 N2 O2 | SMILES: | Clc1cc2c(cc1Cl)OCCC2C(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C19H14Cl2N2O2/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)-6,7-dichloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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| QI4 | Name: | (2S)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)propanamide | Formula: | C18 H14 Cl2 N2 O | SMILES: | Clc1ccc(cc1Cl)C(C)C(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C18H14Cl2N2O/c1-11(12-6-7-15(19)16(20)8-12)18(23)22-17-10-21-9-13-4-2-3-5-14(13)17/h2-11H,1H3,(H,22,23)/t11-/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)propanamide |
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| QI7 | Name: | (4R)-6-chloro-1-[(1H-imidazol-2-yl)methyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide | Formula: | C23 H20 Cl N5 O | SMILES: | Clc1ccc2c(c1)C(CCN2Cc1ncc[NH]1)C(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C23H20ClN5O/c24-16-5-6-21-19(11-16)18(7-10-29(21)14-22-26-8-9-27-22)23(30)28-20-13-25-12-15-3-1-2-4-17(15)20/h1-6,8-9,11-13,18H,7,10,14H2,(H,26,27)(H,28,30)/t18-/m1/s1 | Definition date: | 2023-08-18 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (4R)-6-chloro-1-[(1H-imidazol-2-yl)methyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide |
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| QIB | Name: | (4S)-6-chloro-4-hydroxy-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide | Formula: | C19 H15 Cl N2 O3 | SMILES: | Clc1ccc2OCCC(O)(c2c1)C(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C19H15ClN2O3/c20-13-5-6-17-15(9-13)19(24,7-8-25-17)18(23)22-16-11-21-10-12-3-1-2-4-14(12)16/h1-6,9-11,24H,7-8H2,(H,22,23)/t19-/m0/s1 | Definition date: | 2023-08-18 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (4S)-6-chloro-4-hydroxy-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-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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| 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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| C67 | Name: | N~5~-[N-(2-carboxyethyl)carbamimidoyl]-L-ornithine | Formula: | C9 H18 N4 O4 | SMILES: | NC(C(=O)O)CCCNC(=N)NCCC(O)=O | InChi: | InChI=1S/C9H18N4O4/c10-6(8(16)17)2-1-4-12-9(11)13-5-3-7(14)15/h6H,1-5,10H2,(H,14,15)(H,16,17)(H3,11,12,13)/t6-/m0/s1 | Definition date: | 2017-09-13 | Last modified: | 2023-11-03 | Release date: | 2017-12-13 | Identifier: | N~5~-[N-(2-carboxyethyl)carbamimidoyl]-L-ornithine |
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| QIQ | Name: | 2-(5-chloropyridin-3-yl)-N-(isoquinolin-4-yl)acetamide | Formula: | C16 H12 Cl N3 O | SMILES: | Clc1cc(CC(=O)Nc2cncc3ccccc32)cnc1 | InChi: | InChI=1S/C16H12ClN3O/c17-13-5-11(7-18-9-13)6-16(21)20-15-10-19-8-12-3-1-2-4-14(12)15/h1-5,7-10H,6H2,(H,20,21) | Definition date: | 2023-08-18 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | 2-(5-chloropyridin-3-yl)-N-(isoquinolin-4-yl)acetamide |
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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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| C6D | Name: | N~5~-[N-(3-hydroxypropyl)carbamimidoyl]-L-ornithine | Formula: | C9 H20 N4 O3 | SMILES: | NC(C(=O)O)CCCNC(=N)NCCCO | InChi: | InChI=1S/C9H20N4O3/c10-7(8(15)16)3-1-4-12-9(11)13-5-2-6-14/h7,14H,1-6,10H2,(H,15,16)(H3,11,12,13)/t7-/m0/s1 | Definition date: | 2017-09-13 | Last modified: | 2023-11-03 | Release date: | 2017-12-13 | Identifier: | N~5~-[N-(3-hydroxypropyl)carbamimidoyl]-L-ornithine |
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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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| 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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| 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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| 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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