![004 004](https://data.pdbj.org/pdbjplus/data/cc/svg/004.svg) | 004 | 表記: | (2S)-amino(phenyl)ethanoic acid | 組成式: | C8 H9 N O2 | SMILES: | O=C(O)C(N)c1ccccc1 | InChi: | InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)/t7-/m0/s1 | 別名: | L-Phenylglycine | 定義日: | 2010-04-27 | 最終更新日: | 2023-11-03 | 識別子(ID): | (2S)-amino(phenyl)ethanoic acid |
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![RVL RVL](https://data.pdbj.org/pdbjplus/data/cc/svg/RVL.svg) | RVL | 表記: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[1-(methylcarbamoyl)cyclopropyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | 組成式: | C24 H21 Cl N4 O3 | SMILES: | CNC(=O)C1(CC1)N1CC(c2cc(Cl)ccc2C1=O)C(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C24H21ClN4O3/c1-26-23(32)24(8-9-24)29-13-19(18-10-15(25)6-7-17(18)22(29)31)21(30)28-20-12-27-11-14-4-2-3-5-16(14)20/h2-7,10-12,19H,8-9,13H2,1H3,(H,26,32)(H,28,30)/t19-/m1/s1 | 定義日: | 2023-08-22 | 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)-2-[1-(methylcarbamoyl)cyclopropyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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![NSR NSR](https://data.pdbj.org/pdbjplus/data/cc/svg/NSR.svg) | NSR | 表記: | (4R)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide | 組成式: | C19 H15 Cl N2 O2 | SMILES: | Clc1ccc2OCCC(c2c1)C(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C19H15ClN2O2/c20-13-5-6-18-16(9-13)15(7-8-24-18)19(23)22-17-11-21-10-12-3-1-2-4-14(12)17/h1-6,9-11,15H,7-8H2,(H,22,23)/t15-/m1/s1 | 定義日: | 2023-08-16 | 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)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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![O87 O87](https://data.pdbj.org/pdbjplus/data/cc/svg/O87.svg) | O87 | 表記: | 4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}quinolin-2(1H)-one | 組成式: | C21 H18 F3 N3 O2 | SMILES: | O=C(C1=CC(=O)Nc2ccccc21)N1CCN(CC1)c1cc(ccc1)C(F)(F)F | InChi: | InChI=1S/C21H18F3N3O2/c22-21(23,24)14-4-3-5-15(12-14)26-8-10-27(11-9-26)20(29)17-13-19(28)25-18-7-2-1-6-16(17)18/h1-7,12-13H,8-11H2,(H,25,28) | 定義日: | 2023-08-17 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | 4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}quinolin-2(1H)-one |
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![RVR RVR](https://data.pdbj.org/pdbjplus/data/cc/svg/RVR.svg) | RVR | 表記: | (4S)-6-chloro-1,1-dioxo-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide | 組成式: | C18 H18 Cl N3 O3 S | SMILES: | Clc1ccc2c(c1)C(CNS2(=O)=O)C(=O)Nc1cncc2CCCCc21 | InChi: | InChI=1S/C18H18ClN3O3S/c19-12-5-6-17-14(7-12)15(9-21-26(17,24)25)18(23)22-16-10-20-8-11-3-1-2-4-13(11)16/h5-8,10,15,21H,1-4,9H2,(H,22,23)/t15-/m1/s1 | 定義日: | 2023-08-22 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | (4S)-6-chloro-1,1-dioxo-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide |
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![PH6 PH6](https://data.pdbj.org/pdbjplus/data/cc/svg/PH6.svg) | 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 PH8](https://data.pdbj.org/pdbjplus/data/cc/svg/PH8.svg) | 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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![RW0 RW0](https://data.pdbj.org/pdbjplus/data/cc/svg/RW0.svg) | RW0 | 表記: | (3R,4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-3-methyl-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | 組成式: | C24 H23 Cl N4 O5 S | SMILES: | CS(=O)(=O)c1ccc2c(c1)cncc2NC(=O)C1c2cc(Cl)ccc2C(=O)N(CC(=O)NC)C1C | InChi: | InChI=1S/C24H23ClN4O5S/c1-13-22(19-9-15(25)4-6-18(19)24(32)29(13)12-21(30)26-2)23(31)28-20-11-27-10-14-8-16(35(3,33)34)5-7-17(14)20/h4-11,13,22H,12H2,1-3H3,(H,26,30)(H,28,31)/t13-,22-/m1/s1 | 定義日: | 2023-08-22 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | (3R,4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-3-methyl-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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![RW9 RW9](https://data.pdbj.org/pdbjplus/data/cc/svg/RW9.svg) | RW9 | 表記: | 2-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-1,2'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide | 組成式: | C24 H21 Cl N4 O3 | SMILES: | CNC(=O)CN1CC2(CCN(C2=O)c2cncc3ccccc32)c2cc(Cl)ccc2C1=O | InChi: | InChI=1S/C24H21ClN4O3/c1-26-21(30)13-28-14-24(19-10-16(25)6-7-18(19)22(28)31)8-9-29(23(24)32)20-12-27-11-15-4-2-3-5-17(15)20/h2-7,10-12H,8-9,13-14H2,1H3,(H,26,30)/t24-/m1/s1 | 定義日: | 2023-08-22 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | 2-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-1,2'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide |
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![VM9 VM9](https://data.pdbj.org/pdbjplus/data/cc/svg/VM9.svg) | VM9 | 表記: | (6M)-6-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine | 組成式: | C29 H31 Cl F5 N7 O | SMILES: | FC1CC2(CCCN2C1)COc1nc2c(F)c(c3nc(N)cc(C)c3C(F)(F)F)c(Cl)cc2c(n1)N1CC2CCC(N2)C1 | InChi: | InChI=1S/C29H31ClF5N7O/c1-14-7-20(36)38-25(22(14)29(33,34)35)21-19(30)8-18-24(23(21)32)39-27(40-26(18)41-11-16-3-4-17(12-41)37-16)43-13-28-5-2-6-42(28)10-15(31)9-28/h7-8,15-17,37H,2-6,9-13H2,1H3,(H2,36,38)/t15-,16-,17+,28+/m1/s1 | 定義日: | 2023-09-13 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | (6M)-6-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine |
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![RWO RWO](https://data.pdbj.org/pdbjplus/data/cc/svg/RWO.svg) | RWO | 表記: | (4R)-6-chloro-4-methyl-1,1-dioxo-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide | 組成式: | C19 H20 Cl N3 O3 S | SMILES: | Clc1ccc2c(c1)C(C)(CNS2(=O)=O)C(=O)Nc1cncc2CCCCc21 | InChi: | InChI=1S/C19H20ClN3O3S/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/h6-10,22H,2-5,11H2,1H3,(H,23,24)/t19-/m0/s1 | 定義日: | 2023-08-22 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | (4R)-6-chloro-4-methyl-1,1-dioxo-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide |
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![RWT RWT](https://data.pdbj.org/pdbjplus/data/cc/svg/RWT.svg) | RWT | 表記: | (4S)-6-chloro-4-methyl-1,1-dioxo-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide | 組成式: | C19 H20 Cl N3 O3 S | SMILES: | Clc1ccc2c(c1)C(C)(CNS2(=O)=O)C(=O)Nc1cncc2CCCCc21 | InChi: | InChI=1S/C19H20ClN3O3S/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/h6-10,22H,2-5,11H2,1H3,(H,23,24)/t19-/m1/s1 | 定義日: | 2023-08-22 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | (4S)-6-chloro-4-methyl-1,1-dioxo-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide |
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![O9O O9O](https://data.pdbj.org/pdbjplus/data/cc/svg/O9O.svg) | O9O | 表記: | N-{3-chloro-5-[(6-methoxypyridin-2-yl)oxy]phenyl}-2-(isoquinolin-4-yl)acetamide | 組成式: | C23 H18 Cl N3 O3 | SMILES: | COc1cccc(Oc2cc(NC(=O)Cc3cncc4ccccc43)cc(Cl)c2)n1 | InChi: | InChI=1S/C23H18ClN3O3/c1-29-22-7-4-8-23(27-22)30-19-11-17(24)10-18(12-19)26-21(28)9-16-14-25-13-15-5-2-3-6-20(15)16/h2-8,10-14H,9H2,1H3,(H,26,28) | 定義日: | 2023-08-17 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | N-{3-chloro-5-[(6-methoxypyridin-2-yl)oxy]phenyl}-2-(isoquinolin-4-yl)acetamide |
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![YHA YHA](https://data.pdbj.org/pdbjplus/data/cc/svg/YHA.svg) | YHA | 表記: | Homocitrulline | 組成式: | C7 H15 N3 O3 | SMILES: | NC(CCCCNC(N)=O)C(=O)O | InChi: | InChI=1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)/t5-/m0/s1 | 別名: | N~6~-carbamoyl-L-lysine | 定義日: | 2021-03-04 | 最終更新日: | 2023-11-03 | 公開日: | 2022-05-25 | 識別子(ID): | N~6~-carbamoyl-L-lysine |
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![RXU RXU](https://data.pdbj.org/pdbjplus/data/cc/svg/RXU.svg) | RXU | 表記: | 2-[(3'S)-6-chloro-2'-oxo-1'-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide | 組成式: | C24 H27 Cl N4 O2 | SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2C2(CCN(C2=O)c2cncc3CCCCc32)C1 | InChi: | InChI=1S/C24H27ClN4O2/c1-26-22(30)14-28-13-17-6-7-18(25)10-20(17)24(15-28)8-9-29(23(24)31)21-12-27-11-16-4-2-3-5-19(16)21/h6-7,10-12H,2-5,8-9,13-15H2,1H3,(H,26,30)/t24-/m1/s1 | 定義日: | 2023-08-22 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | 2-[(3'S)-6-chloro-2'-oxo-1'-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide |
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![NUR NUR](https://data.pdbj.org/pdbjplus/data/cc/svg/NUR.svg) | NUR | 表記: | 2-(3-chlorophenyl)-N-(isoquinolin-4-yl)-N-methylacetamide | 組成式: | C18 H15 Cl N2 O | SMILES: | Clc1cccc(c1)CC(=O)N(C)c1cncc2ccccc21 | InChi: | InChI=1S/C18H15ClN2O/c1-21(18(22)10-13-5-4-7-15(19)9-13)17-12-20-11-14-6-2-3-8-16(14)17/h2-9,11-12H,10H2,1H3 | 定義日: | 2023-08-16 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | 2-(3-chlorophenyl)-N-(isoquinolin-4-yl)-N-methylacetamide |
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![PJ6 PJ6](https://data.pdbj.org/pdbjplus/data/cc/svg/PJ6.svg) | 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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![VNW VNW](https://data.pdbj.org/pdbjplus/data/cc/svg/VNW.svg) | VNW | 表記: | 8-azanyl-4-methylselanyl-quinoline-2-carboxylic acid | 組成式: | C11 H10 N2 O2 Se | SMILES: | C[Se]c1cc(nc2c(N)cccc12)C(O)=O | InChi: | InChI=1S/C11H10N2O2Se/c1-16-9-5-8(11(14)15)13-10-6(9)3-2-4-7(10)12/h2-5H,12H2,1H3,(H,14,15) | 定義日: | 2023-09-14 | 最終更新日: | 2023-11-03 | 公開日: | 2023-10-11 | 識別子(ID): | 8-azanyl-4-methylselanyl-quinoline-2-carboxylic acid |
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![RYB RYB](https://data.pdbj.org/pdbjplus/data/cc/svg/RYB.svg) | RYB | 表記: | 1-{[(3'S)-6-chloro-1'-{6-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile | 組成式: | C30 H32 Cl N5 O4 S | SMILES: | CN(C)CCOc1cc2c(cc1)cncc2N1CCC2(CN(Cc3ccc(Cl)cc32)S(=O)(=O)CC2(C#N)CC2)C1=O | InChi: | InChI=1S/C30H32ClN5O4S/c1-34(2)11-12-40-24-6-4-21-15-33-16-27(25(21)14-24)36-10-9-30(28(36)37)19-35(17-22-3-5-23(31)13-26(22)30)41(38,39)20-29(18-32)7-8-29/h3-6,13-16H,7-12,17,19-20H2,1-2H3/t30-/m1/s1 | 定義日: | 2023-08-22 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | 1-{[(3'S)-6-chloro-1'-{6-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile |
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![P4R P4R](https://data.pdbj.org/pdbjplus/data/cc/svg/P4R.svg) | 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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![PYA PYA](https://data.pdbj.org/pdbjplus/data/cc/svg/PYA.svg) | 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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![PJX PJX](https://data.pdbj.org/pdbjplus/data/cc/svg/PJX.svg) | 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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![PZ6 PZ6](https://data.pdbj.org/pdbjplus/data/cc/svg/PZ6.svg) | 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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![RZF RZF](https://data.pdbj.org/pdbjplus/data/cc/svg/RZF.svg) | RZF | 表記: | 2-[(3'S)-6-chloro-1'-(6-chloroisoquinolin-4-yl)-1,2'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide | 組成式: | C24 H20 Cl2 N4 O3 | SMILES: | Clc1cc2c(cc1)cncc2N1CCC2(CN(CC(=O)NC)C(=O)c3ccc(Cl)cc32)C1=O | InChi: | InChI=1S/C24H20Cl2N4O3/c1-27-21(31)12-29-13-24(19-9-16(26)4-5-17(19)22(29)32)6-7-30(23(24)33)20-11-28-10-14-2-3-15(25)8-18(14)20/h2-5,8-11H,6-7,12-13H2,1H3,(H,27,31)/t24-/m1/s1 | 定義日: | 2023-08-22 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | 2-[(3'S)-6-chloro-1'-(6-chloroisoquinolin-4-yl)-1,2'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide |
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![VPB VPB](https://data.pdbj.org/pdbjplus/data/cc/svg/VPB.svg) | VPB | 表記: | (4S)-8-{2-[3-(morpholin-4-yl)-3-oxopropoxy]phenoxy}indolizine-2-carbonitrile | 組成式: | C22 H21 N3 O4 | SMILES: | O=C(CCOc1ccccc1Oc1cccn2cc(C#N)cc21)N1CCOCC1 | InChi: | InChI=1S/C22H21N3O4/c23-15-17-14-18-19(6-3-8-25(18)16-17)29-21-5-2-1-4-20(21)28-11-7-22(26)24-9-12-27-13-10-24/h1-6,8,14,16H,7,9-13H2 | 定義日: | 2023-09-14 | 最終更新日: | 2023-11-03 | 公開日: | 2023-11-08 | 識別子(ID): | (4S)-8-{2-[3-(morpholin-4-yl)-3-oxopropoxy]phenoxy}indolizine-2-carbonitrile |
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