| OZC | 表記: | (3S)-3-(4-chlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one | 組成式: | C20 H17 Cl N2 O | SMILES: | Clc1ccc(cc1)C1CCCN(c2cncc3ccccc23)C1=O | InChi: | InChI=1S/C20H17ClN2O/c21-16-9-7-14(8-10-16)18-6-3-11-23(20(18)24)19-13-22-12-15-4-1-2-5-17(15)19/h1-2,4-5,7-10,12-13,18H,3,6,11H2/t18-/m0/s1 | 定義日: | 2023-08-18 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | (3S)-3-(4-chlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one |
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| OZX | 表記: | 2-(6-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide | 組成式: | C16 H12 Cl N3 O | SMILES: | Clc1cccc(CC(=O)Nc2cncc3ccccc32)n1 | InChi: | InChI=1S/C16H12ClN3O/c17-15-7-3-5-12(19-15)8-16(21)20-14-10-18-9-11-4-1-2-6-13(11)14/h1-7,9-10H,8H2,(H,20,21) | 定義日: | 2023-08-18 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | 2-(6-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide |
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| P0X | 表記: | 4-[4-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]quinolin-2(1H)-one | 組成式: | C20 H16 Cl N3 O3 | SMILES: | O=C(C1=CC(=O)Nc2ccccc21)N1CC(=O)N(CC1)c1cccc(Cl)c1 | InChi: | InChI=1S/C20H16ClN3O3/c21-13-4-3-5-14(10-13)24-9-8-23(12-19(24)26)20(27)16-11-18(25)22-17-7-2-1-6-15(16)17/h1-7,10-11H,8-9,12H2,(H,22,25) | 定義日: | 2023-08-18 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | 4-[4-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]quinolin-2(1H)-one |
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| P4R | 表記: | (1'M,4S)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,4'-imidazolidine]-2',5'-dione | 組成式: | C20 H14 Cl N3 O3 | SMILES: | Clc1ccc2OCCC3(NC(=O)N(C3=O)c3cncc4ccccc43)c2c1 | InChi: | InChI=1S/C20H14ClN3O3/c21-13-5-6-17-15(9-13)20(7-8-27-17)18(25)24(19(26)23-20)16-11-22-10-12-3-1-2-4-14(12)16/h1-6,9-11H,7-8H2,(H,23,26)/t20-/m0/s1 | 定義日: | 2023-08-18 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | (1'M,4S)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,4'-imidazolidine]-2',5'-dione |
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| P6O | 表記: | (4S)-6-chloro-4-hydroxy-N-(isoquinolin-4-yl)-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide | 組成式: | C19 H14 Cl N3 O3 | SMILES: | Clc1ccc2NC(=O)CC(O)(c2c1)C(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C19H14ClN3O3/c20-12-5-6-15-14(7-12)19(26,8-17(24)22-15)18(25)23-16-10-21-9-11-3-1-2-4-13(11)16/h1-7,9-10,26H,8H2,(H,22,24)(H,23,25)/t19-/m0/s1 | 定義日: | 2023-08-18 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | (4S)-6-chloro-4-hydroxy-N-(isoquinolin-4-yl)-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide |
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| PH6 | 表記: | (4S)-4-cyclohexyl-L-proline | 組成式: | C11 H19 N O2 | SMILES: | O=C(O)C2NCC(C1CCCCC1)C2 | InChi: | InChI=1S/C11H19NO2/c13-11(14)10-6-9(7-12-10)8-4-2-1-3-5-8/h8-10,12H,1-7H2,(H,13,14)/t9-,10+/m1/s1 | 定義日: | 2015-02-06 | 最終更新日: | 2023-11-03 | 公開日: | 2015-06-03 | 識別子(ID): | (4S)-4-cyclohexyl-L-proline |
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| PH8 | 表記: | 5-phenyl-L-norvaline | 組成式: | C11 H15 N O2 | SMILES: | C(O)(=O)C(N)CCCc1ccccc1 | InChi: | InChI=1S/C11H15NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,12H2,(H,13,14)/t10-/m0/s1 | 定義日: | 2015-03-10 | 最終更新日: | 2023-11-03 | 公開日: | 2015-04-15 | 識別子(ID): | 5-phenyl-L-norvaline |
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| PJ6 | 表記: | (4S)-6-chloro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide | 組成式: | C20 H17 Cl N2 O3 | SMILES: | Clc1ccc2OCCC(OC)(c2c1)C(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C20H17ClN2O3/c1-25-20(8-9-26-18-7-6-14(21)10-16(18)20)19(24)23-17-12-22-11-13-4-2-3-5-15(13)17/h2-7,10-12H,8-9H2,1H3,(H,23,24)/t20-/m0/s1 | 定義日: | 2023-08-18 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | (4S)-6-chloro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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| PJX | 表記: | (4R)-6-chloro-N-(isoquinolin-4-yl)-1-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide | 組成式: | C20 H18 Cl N3 O | SMILES: | Clc1ccc2c(c1)C(CCN2C)C(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C20H18ClN3O/c1-24-9-8-16(17-10-14(21)6-7-19(17)24)20(25)23-18-12-22-11-13-4-2-3-5-15(13)18/h2-7,10-12,16H,8-9H2,1H3,(H,23,25)/t16-/m1/s1 | 定義日: | 2023-08-18 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | (4R)-6-chloro-N-(isoquinolin-4-yl)-1-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide |
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| PQ6 | 表記: | (4R)-4-(aminomethyl)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide | 組成式: | C20 H18 Cl N3 O2 | SMILES: | Clc1ccc2OCCC(CN)(c2c1)C(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C20H18ClN3O2/c21-14-5-6-18-16(9-14)20(12-22,7-8-26-18)19(25)24-17-11-23-10-13-3-1-2-4-15(13)17/h1-6,9-11H,7-8,12,22H2,(H,24,25)/t20-/m0/s1 | 定義日: | 2023-08-18 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | (4R)-4-(aminomethyl)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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| PUU | 表記: | (4R)-1-acetyl-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide | 組成式: | C21 H18 Cl N3 O2 | SMILES: | CC(=O)N1CCC(c2cc(Cl)ccc21)C(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C21H18ClN3O2/c1-13(26)25-9-8-17(18-10-15(22)6-7-20(18)25)21(27)24-19-12-23-11-14-4-2-3-5-16(14)19/h2-7,10-12,17H,8-9H2,1H3,(H,24,27)/t17-/m1/s1 | 定義日: | 2023-08-18 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | (4R)-1-acetyl-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide |
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| PYA | 表記: | 3-(1,10-PHENANTHROL-2-YL)-L-ALANINE | 組成式: | C15 H13 N3 O2 | SMILES: | O=C(O)C(N)Cc3nc2c(ccc1cccnc12)cc3 | InChi: | InChI=1S/C15H13N3O2/c16-12(15(19)20)8-11-6-5-10-4-3-9-2-1-7-17-13(9)14(10)18-11/h1-7,12H,8,16H2,(H,19,20)/t12-/m0/s1 | 定義日: | 1999-07-08 | 最終更新日: | 2023-11-03 | 識別子(ID): | 3-(1,10-phenanthrolin-2-yl)-L-alanine |
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| PZ6 | 表記: | (4S)-4-(aminomethyl)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide | 組成式: | C20 H18 Cl N3 O2 | SMILES: | Clc1ccc2OCCC(CN)(c2c1)C(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C20H18ClN3O2/c21-14-5-6-18-16(9-14)20(12-22,7-8-26-18)19(25)24-17-11-23-10-13-3-1-2-4-15(13)17/h1-6,9-11H,7-8,12,22H2,(H,24,25)/t20-/m1/s1 | 定義日: | 2023-08-18 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | (4S)-4-(aminomethyl)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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| Q0I | 表記: | (4R)-6-chloro-N-(isoquinolin-4-yl)-N-propanoyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide | 組成式: | C22 H19 Cl N2 O3 | SMILES: | CCC(=O)N(c1cncc2ccccc21)C(=O)C1CCOc2ccc(Cl)cc21 | InChi: | InChI=1S/C22H19ClN2O3/c1-2-21(26)25(19-13-24-12-14-5-3-4-6-16(14)19)22(27)17-9-10-28-20-8-7-15(23)11-18(17)20/h3-8,11-13,17H,2,9-10H2,1H3/t17-/m1/s1 | 定義日: | 2023-08-18 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | (4R)-6-chloro-N-(isoquinolin-4-yl)-N-propanoyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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| Q1U | 表記: | 2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide | 組成式: | C18 H15 Cl N2 O2 | SMILES: | Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)OC | InChi: | InChI=1S/C18H15ClN2O2/c1-23-15-6-5-13-10-20-11-17(16(13)9-15)21-18(22)8-12-3-2-4-14(19)7-12/h2-7,9-11H,8H2,1H3,(H,21,22) | 定義日: | 2023-08-18 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | 2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide |
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| Q2U | 表記: | N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide | 組成式: | C19 H18 N2 O4 | SMILES: | COc1ccccc1OCCNC(=O)C1=CC(=O)Nc2ccccc21 | InChi: | InChI=1S/C19H18N2O4/c1-24-16-8-4-5-9-17(16)25-11-10-20-19(23)14-12-18(22)21-15-7-3-2-6-13(14)15/h2-9,12H,10-11H2,1H3,(H,20,23)(H,21,22) | 定義日: | 2023-08-18 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide |
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| Q4R | 表記: | N~2~-methyl-N-(4-methylpyridin-3-yl)-N~2~-(quinoline-8-sulfonyl)glycinamide | 組成式: | C18 H18 N4 O3 S | SMILES: | O=C(Nc1cnccc1C)CN(C)S(=O)(=O)c1cccc2cccnc21 | InChi: | InChI=1S/C18H18N4O3S/c1-13-8-10-19-11-15(13)21-17(23)12-22(2)26(24,25)16-7-3-5-14-6-4-9-20-18(14)16/h3-11H,12H2,1-2H3,(H,21,23) | 定義日: | 2023-08-18 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | N~2~-methyl-N-(4-methylpyridin-3-yl)-N~2~-(quinoline-8-sulfonyl)glycinamide |
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| Q5R | 表記: | 4-(4-phenylpiperazine-1-carbonyl)quinolin-2(1H)-one | 組成式: | C20 H19 N3 O2 | SMILES: | O=C(C1=CC(=O)Nc2ccccc21)N1CCN(CC1)c1ccccc1 | InChi: | InChI=1S/C20H19N3O2/c24-19-14-17(16-8-4-5-9-18(16)21-19)20(25)23-12-10-22(11-13-23)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,21,24) | 定義日: | 2023-08-18 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | 4-(4-phenylpiperazine-1-carbonyl)quinolin-2(1H)-one |
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| Q99 | 表記: | N-[2-(3-chloro-5-{[(2S)-4-oxoazetidin-2-yl]oxy}phenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide | 組成式: | C21 H18 Cl N3 O5 | SMILES: | O=C1Nc2ccccc2C(=C1)C(=O)NCCOc1cc(Cl)cc(OC2CC(=O)N2)c1 | InChi: | InChI=1S/C21H18ClN3O5/c22-12-7-13(9-14(8-12)30-20-11-19(27)25-20)29-6-5-23-21(28)16-10-18(26)24-17-4-2-1-3-15(16)17/h1-4,7-10,20H,5-6,11H2,(H,23,28)(H,24,26)(H,25,27)/t20-/m0/s1 | 定義日: | 2023-08-18 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | N-[2-(3-chloro-5-{[(2S)-4-oxoazetidin-2-yl]oxy}phenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide |
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| QBC | 表記: | 7-chloroquinolin-4-amine | 組成式: | C9 H7 Cl N2 | SMILES: | Clc1cc2nccc(N)c2cc1 | InChi: | InChI=1S/C9H7ClN2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H,(H2,11,12) | 定義日: | 2022-06-06 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | 7-chloroquinolin-4-amine |
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| QC3 | 表記: | (3S)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)pyrrolidin-2-one | 組成式: | 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-/m0/s1 | 定義日: | 2023-08-18 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | (3S)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)pyrrolidin-2-one |
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| QC6 | 表記: | 8-fluoro-2-methylquinolin-4-amine | 組成式: | C10 H9 F N2 | SMILES: | Fc1cccc2c(N)cc(C)nc12 | InChi: | InChI=1S/C10H9FN2/c1-6-5-9(12)7-3-2-4-8(11)10(7)13-6/h2-5H,1H3,(H2,12,13) | 定義日: | 2022-06-07 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | 8-fluoro-2-methylquinolin-4-amine |
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| QD1 | 表記: | 6-chloroquinolin-4-amine | 組成式: | C9 H7 Cl N2 | SMILES: | Clc1ccc2nccc(N)c2c1 | InChi: | InChI=1S/C9H7ClN2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H,(H2,11,12) | 定義日: | 2022-06-07 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | 6-chloroquinolin-4-amine |
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| QD4 | 表記: | (4R)-6-chloro-N~4~-(isoquinolin-4-yl)-3,4-dihydroquinoline-1,4(2H)-dicarboxamide | 組成式: | C20 H17 Cl N4 O2 | SMILES: | NC(=O)N1CCC(c2cc(Cl)ccc21)C(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C20H17ClN4O2/c21-13-5-6-18-16(9-13)15(7-8-25(18)20(22)27)19(26)24-17-11-23-10-12-3-1-2-4-14(12)17/h1-6,9-11,15H,7-8H2,(H2,22,27)(H,24,26)/t15-/m1/s1 | 定義日: | 2023-08-18 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | (4R)-6-chloro-N~4~-(isoquinolin-4-yl)-3,4-dihydroquinoline-1,4(2H)-dicarboxamide |
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| QD9 | 表記: | N-[(3-chlorophenyl)methyl]-N-[5-(dimethylamino)pyridin-2-yl]-2-(isoquinolin-4-yl)acetamide | 組成式: | C25 H23 Cl N4 O | SMILES: | CN(C)c1cnc(cc1)N(Cc1cccc(Cl)c1)C(=O)Cc1cncc2ccccc21 | InChi: | InChI=1S/C25H23ClN4O/c1-29(2)22-10-11-24(28-16-22)30(17-18-6-5-8-21(26)12-18)25(31)13-20-15-27-14-19-7-3-4-9-23(19)20/h3-12,14-16H,13,17H2,1-2H3 | 定義日: | 2023-08-18 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | N-[(3-chlorophenyl)methyl]-N-[5-(dimethylamino)pyridin-2-yl]-2-(isoquinolin-4-yl)acetamide |
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