![GOK GOK](https://data.pdbj.org/pdbjplus/data/cc/svg/GOK.svg) | GOK | 表記: | 2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-~{N}-oxidanyl-pyrimidine-5-carboxamide | 組成式: | C21 H26 N6 O2 | SMILES: | Cn1cc(CNCC2CCN(CC2)c3ncc(cn3)C(=O)NO)c4ccccc14 | InChi: | InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28) | 定義日: | 2018-10-01 | 最終更新日: | 2018-10-26 | 公開日: | 2018-10-31 | 識別子(ID): | 2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-~{N}-oxidanyl-pyrimidine-5-carboxamide |
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![FOV FOV](https://data.pdbj.org/pdbjplus/data/cc/svg/FOV.svg) | FOV | 表記: | N-(3-chloro-5-fluorophenyl)-2-nitro-4-[(trifluoromethyl)sulfonyl]aniline | 組成式: | C13 H7 Cl F4 N2 O4 S | SMILES: | O=N(c1c(ccc(c1)S(C(F)(F)F)(=O)=O)Nc2cc(Cl)cc(c2)F)=O | InChi: | InChI=1S/C13H7ClF4N2O4S/c14-7-3-8(15)5-9(4-7)19-11-2-1-10(6-12(11)20(21)22)25(23,24)13(16,17)18/h1-6,19H | 定義日: | 2018-04-11 | 最終更新日: | 2018-10-26 | 公開日: | 2018-10-31 | 識別子(ID): | N-(3-chloro-5-fluorophenyl)-2-nitro-4-[(trifluoromethyl)sulfonyl]aniline |
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![F2J F2J](https://data.pdbj.org/pdbjplus/data/cc/svg/F2J.svg) | F2J | 表記: | N-[1-(piperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide | 組成式: | C18 H20 N4 S | SMILES: | c4(/C(Nc1cc2c(cc1)n(cc2)C3CCNCC3)=N)cccs4 | InChi: | InChI=1S/C18H20N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,7,10-12,15,20H,5-6,8-9H2,(H2,19,21) | 定義日: | 2018-02-26 | 最終更新日: | 2018-10-26 | 公開日: | 2018-10-31 | 識別子(ID): | N-[1-(piperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide |
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![7R2 7R2](https://data.pdbj.org/pdbjplus/data/cc/svg/7R2.svg) | 7R2 | 表記: | N-(1-{2-[ethyl(methyl)amino]ethyl}-1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-carboximidamide | 組成式: | C19 H26 N4 S | SMILES: | c1(sccc1)/C(Nc3cc2CCCN(c2cc3)CCN(C)CC)=N | InChi: | InChI=1S/C19H26N4S/c1-3-22(2)11-12-23-10-4-6-15-14-16(8-9-17(15)23)21-19(20)18-7-5-13-24-18/h5,7-9,13-14H,3-4,6,10-12H2,1-2H3,(H2,20,21) | 定義日: | 2018-02-26 | 最終更新日: | 2018-10-26 | 公開日: | 2018-10-31 | 識別子(ID): | N-(1-{2-[ethyl(methyl)amino]ethyl}-1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-carboximidamide |
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![BQ8 BQ8](https://data.pdbj.org/pdbjplus/data/cc/svg/BQ8.svg) | BQ8 | 表記: | (2~{R})-~{N}-[5-[3,5-bis(oxidanyl)phenyl]-4-ethanoyl-1,3-thiazol-2-yl]-2-carbamimidamido-propanamide | 組成式: | C15 H17 N5 O4 S | SMILES: | C[CH](NC(N)=N)C(=O)Nc1sc(c2cc(O)cc(O)c2)c(n1)C(C)=O | InChi: | InChI=1S/C15H17N5O4S/c1-6(18-14(16)17)13(24)20-15-19-11(7(2)21)12(25-15)8-3-9(22)5-10(23)4-8/h3-6,22-23H,1-2H3,(H4,16,17,18)(H,19,20,24)/t6-/m1/s1 | 定義日: | 2017-10-12 | 最終更新日: | 2018-10-26 | 公開日: | 2018-10-31 | 識別子(ID): | (2~{R})-~{N}-[5-[3,5-bis(oxidanyl)phenyl]-4-ethanoyl-1,3-thiazol-2-yl]-2-carbamimidamido-propanamide |
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![9U5 9U5](https://data.pdbj.org/pdbjplus/data/cc/svg/9U5.svg) | 9U5 | 表記: | 4-[2-(4,4-dimethyl-1-propan-2-yl-quinolin-6-yl)ethynyl]benzoic acid | 組成式: | C23 H23 N O2 | SMILES: | CC(C)N1C=CC(C)(C)c2cc(ccc12)C#Cc3ccc(cc3)C(O)=O | InChi: | InChI=1S/C23H23NO2/c1-16(2)24-14-13-23(3,4)20-15-18(9-12-21(20)24)6-5-17-7-10-19(11-8-17)22(25)26/h7-16H,1-4H3,(H,25,26) | 定義日: | 2017-07-12 | 最終更新日: | 2018-10-19 | 公開日: | 2018-10-24 | 識別子(ID): | 4-[2-(4,4-dimethyl-1-propan-2-yl-quinolin-6-yl)ethynyl]benzoic acid |
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![C0Q C0Q](https://data.pdbj.org/pdbjplus/data/cc/svg/C0Q.svg) | C0Q | 表記: | anilinopyrimidine ligand | 組成式: | C21 H25 Cl N6 O3 | SMILES: | CN1C(=O)CCc2cc3Nc4nc(ncc4Cl)N5CCNC[CH]5COCCOc(c3)c12 | InChi: | InChI=1S/C21H25ClN6O3/c1-27-18(29)3-2-13-8-14-9-17(19(13)27)31-7-6-30-12-15-10-23-4-5-28(15)21-24-11-16(22)20(25-14)26-21/h8-9,11,15,23H,2-7,10,12H2,1H3,(H,24,25,26)/t15-/m1/s1 | 定義日: | 2017-11-04 | 最終更新日: | 2018-10-19 | 公開日: | 2018-10-24 |
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![BKJ BKJ](https://data.pdbj.org/pdbjplus/data/cc/svg/BKJ.svg) | BKJ | 表記: | 1-{3-[3-(1-methyl-1H-pyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one | 組成式: | C26 H28 N6 O2 | SMILES: | C6CC(n5c1CCN(C(C)=O)Cc1c(c2cccc3c2cnc(c3)c4cnn(c4)C)n5)CCO6 | InChi: | InChI=1S/C26H28N6O2/c1-17(33)31-9-6-25-23(16-31)26(29-32(25)20-7-10-34-11-8-20)21-5-3-4-18-12-24(27-14-22(18)21)19-13-28-30(2)15-19/h3-5,12-15,20H,6-11,16H2,1-2H3 | 定義日: | 2017-08-09 | 最終更新日: | 2018-10-12 | 公開日: | 2018-10-17 | 識別子(ID): | 1-{3-[3-(1-methyl-1H-pyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one |
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![J9S J9S](https://data.pdbj.org/pdbjplus/data/cc/svg/J9S.svg) | J9S | 表記: | N-[(2S)-2-(2-methoxyphenyl)-2-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}acetyl]-N-[(thiophen-2-yl)methyl]glycine | 組成式: | C25 H23 N3 O7 S2 | SMILES: | N(C(c1c(cccc1)OC)C(N(Cc2cccs2)CC(=O)O)=O)S(c4cc3c(NC(=O)C=C3)cc4)(=O)=O | InChi: | InChI=1S/C25H23N3O7S2/c1-35-21-7-3-2-6-19(21)24(25(32)28(15-23(30)31)14-17-5-4-12-36-17)27-37(33,34)18-9-10-20-16(13-18)8-11-22(29)26-20/h2-13,24,27H,14-15H2,1H3,(H,26,29)(H,30,31)/t24-/m0/s1 | 定義日: | 2018-08-27 | 最終更新日: | 2018-10-12 | 公開日: | 2018-10-17 | 識別子(ID): | N-[(2S)-2-(2-methoxyphenyl)-2-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}acetyl]-N-[(thiophen-2-yl)methyl]glycine |
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![J9V J9V](https://data.pdbj.org/pdbjplus/data/cc/svg/J9V.svg) | J9V | 表記: | N-[(2R)-2-(2-methoxyphenyl)-2-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}acetyl]-N-[(thiophen-2-yl)methyl]glycine | 組成式: | C25 H23 N3 O7 S2 | SMILES: | N(C(c1c(cccc1)OC)C(N(Cc2cccs2)CC(O)=O)=O)S(c4cc3c(NC(=O)C=C3)cc4)(=O)=O | InChi: | InChI=1S/C25H23N3O7S2/c1-35-21-7-3-2-6-19(21)24(25(32)28(15-23(30)31)14-17-5-4-12-36-17)27-37(33,34)18-9-10-20-16(13-18)8-11-22(29)26-20/h2-13,24,27H,14-15H2,1H3,(H,26,29)(H,30,31)/t24-/m1/s1 | 定義日: | 2018-08-27 | 最終更新日: | 2018-10-12 | 公開日: | 2018-10-17 | 識別子(ID): | N-[(2R)-2-(2-methoxyphenyl)-2-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}acetyl]-N-[(thiophen-2-yl)methyl]glycine |
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![JA4 JA4](https://data.pdbj.org/pdbjplus/data/cc/svg/JA4.svg) | JA4 | 表記: | N-[(2R)-2-{[(7-chloro-2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}-2-(2-methoxyphenyl)acetyl]-N-[(thiophen-2-yl)methyl]glycine | 組成式: | C25 H22 Cl N3 O7 S2 | SMILES: | C2=Cc1cc(c(Cl)cc1NC2=O)S(NC(c3ccccc3OC)C(=O)N(CC(=O)O)Cc4cccs4)(=O)=O | InChi: | InChI=1S/C25H22ClN3O7S2/c1-36-20-7-3-2-6-17(20)24(25(33)29(14-23(31)32)13-16-5-4-10-37-16)28-38(34,35)21-11-15-8-9-22(30)27-19(15)12-18(21)26/h2-12,24,28H,13-14H2,1H3,(H,27,30)(H,31,32)/t24-/m1/s1 | 定義日: | 2018-08-27 | 最終更新日: | 2018-10-12 | 公開日: | 2018-10-17 | 識別子(ID): | N-[(2R)-2-{[(7-chloro-2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}-2-(2-methoxyphenyl)acetyl]-N-[(thiophen-2-yl)methyl]glycine |
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![JA7 JA7](https://data.pdbj.org/pdbjplus/data/cc/svg/JA7.svg) | JA7 | 表記: | 5-{2-[(1R)-2-{(carboxymethyl)[(thiophen-2-yl)methyl]amino}-2-oxo-1-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}ethyl]phenoxy}pentanoic acid | 組成式: | C29 H29 N3 O9 S2 | SMILES: | c3(S(NC(c1c(cccc1)OCCCCC(O)=O)C(N(Cc2cccs2)CC(O)=O)=O)(=O)=O)ccc4NC(=O)C=Cc4c3 | InChi: | InChI=1S/C29H29N3O9S2/c33-25-13-10-19-16-21(11-12-23(19)30-25)43(39,40)31-28(29(38)32(18-27(36)37)17-20-6-5-15-42-20)22-7-1-2-8-24(22)41-14-4-3-9-26(34)35/h1-2,5-8,10-13,15-16,28,31H,3-4,9,14,17-18H2,(H,30,33)(H,34,35)(H,36,37)/t28-/m1/s1 | 定義日: | 2018-08-27 | 最終更新日: | 2018-10-12 | 公開日: | 2018-10-17 | 識別子(ID): | 5-{2-[(1R)-2-{(carboxymethyl)[(thiophen-2-yl)methyl]amino}-2-oxo-1-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}ethyl]phenoxy}pentanoic acid |
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![JAJ JAJ](https://data.pdbj.org/pdbjplus/data/cc/svg/JAJ.svg) | JAJ | 表記: | 4-{2-[(1R)-2-{(carboxymethyl)[(thiophen-2-yl)methyl]amino}-2-oxo-1-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}ethyl]phenoxy}butanoic acid | 組成式: | C28 H27 N3 O9 S2 | SMILES: | N(C(c1c(cccc1)OCCCC(O)=O)C(N(Cc2cccs2)CC(O)=O)=O)S(c4cc3c(NC(=O)C=C3)cc4)(=O)=O | InChi: | InChI=1S/C28H27N3O9S2/c32-24-12-9-18-15-20(10-11-22(18)29-24)42(38,39)30-27(21-6-1-2-7-23(21)40-13-3-8-25(33)34)28(37)31(17-26(35)36)16-19-5-4-14-41-19/h1-2,4-7,9-12,14-15,27,30H,3,8,13,16-17H2,(H,29,32)(H,33,34)(H,35,36)/t27-/m1/s1 | 定義日: | 2018-08-27 | 最終更新日: | 2018-10-12 | 公開日: | 2018-10-17 | 識別子(ID): | 4-{2-[(1R)-2-{(carboxymethyl)[(thiophen-2-yl)methyl]amino}-2-oxo-1-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}ethyl]phenoxy}butanoic acid |
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![FVK FVK](https://data.pdbj.org/pdbjplus/data/cc/svg/FVK.svg) | FVK | 表記: | ~{N}-[2-[[(2~{S})-2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide | 組成式: | C16 H25 N3 O5 | SMILES: | O[CH](CNCCNC(=O)N1CCOCC1)COc2ccc(O)cc2 | InChi: | InChI=1S/C16H25N3O5/c20-13-1-3-15(4-2-13)24-12-14(21)11-17-5-6-18-16(22)19-7-9-23-10-8-19/h1-4,14,17,20-21H,5-12H2,(H,18,22)/t14-/m0/s1 | 定義日: | 2018-07-31 | 最終更新日: | 2018-10-12 | 公開日: | 2018-10-17 | 識別子(ID): | ~{N}-[2-[[(2~{S})-2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide |
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![FGQ FGQ](https://data.pdbj.org/pdbjplus/data/cc/svg/FGQ.svg) | FGQ | 表記: | 7-fluoranyl-5-(4-methylphenyl)sulfonyl-quinolin-8-ol | 組成式: | C16 H12 F N O3 S | SMILES: | Cc1ccc(cc1)[S](=O)(=O)c2cc(F)c(O)c3ncccc23 | InChi: | InChI=1S/C16H12FNO3S/c1-10-4-6-11(7-5-10)22(20,21)14-9-13(17)16(19)15-12(14)3-2-8-18-15/h2-9,19H,1H3 | 定義日: | 2018-06-28 | 最終更新日: | 2018-10-05 | 公開日: | 2018-10-10 | 識別子(ID): | 7-fluoranyl-5-(4-methylphenyl)sulfonyl-quinolin-8-ol |
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![B4Z B4Z](https://data.pdbj.org/pdbjplus/data/cc/svg/B4Z.svg) | B4Z | 表記: | ~{N}-[2-[(phenylmethyl)amino]ethyl]isoquinoline-5-sulfonamide | 組成式: | C18 H19 N3 O2 S | SMILES: | O=[S](=O)(NCCNCc1ccccc1)c2cccc3cnccc23 | InChi: | InChI=1S/C18H19N3O2S/c22-24(23,18-8-4-7-16-14-19-10-9-17(16)18)21-12-11-20-13-15-5-2-1-3-6-15/h1-10,14,20-21H,11-13H2 | 定義日: | 2017-09-13 | 最終更新日: | 2018-10-05 | 公開日: | 2018-10-10 | 識別子(ID): | ~{N}-[2-[(phenylmethyl)amino]ethyl]isoquinoline-5-sulfonamide |
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![JGG JGG](https://data.pdbj.org/pdbjplus/data/cc/svg/JGG.svg) | JGG | 表記: | N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide | 組成式: | C13 H15 N3 O2 | SMILES: | C2CN(C(NCc1ccc(C#N)cc1)=O)CCO2 | InChi: | InChI=1S/C13H15N3O2/c14-9-11-1-3-12(4-2-11)10-15-13(17)16-5-7-18-8-6-16/h1-4H,5-8,10H2,(H,15,17) | 定義日: | 2018-09-10 | 最終更新日: | 2018-10-05 | 公開日: | 2018-10-10 | 識別子(ID): | N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide |
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![JGV JGV](https://data.pdbj.org/pdbjplus/data/cc/svg/JGV.svg) | JGV | 表記: | (2,3-dihydro-1,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone | 組成式: | C11 H13 N3 O2 S | SMILES: | C3N(C(c1ccc2c(c1)NNS2)=O)CCOC3 | InChi: | InChI=1S/C11H13N3O2S/c15-11(14-3-5-16-6-4-14)8-1-2-10-9(7-8)12-13-17-10/h1-2,7,12-13H,3-6H2 | 定義日: | 2018-09-10 | 最終更新日: | 2018-10-05 | 公開日: | 2018-10-10 | 識別子(ID): | (2,3-dihydro-1,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone |
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![JHA JHA](https://data.pdbj.org/pdbjplus/data/cc/svg/JHA.svg) | JHA | 表記: | 3-chloro-4-(4-methylpiperidin-1-yl)aniline | 組成式: | C12 H17 Cl N2 | SMILES: | c1cc(c(cc1N)Cl)N2CCC(C)CC2 | InChi: | InChI=1S/C12H17ClN2/c1-9-4-6-15(7-5-9)12-3-2-10(14)8-11(12)13/h2-3,8-9H,4-7,14H2,1H3 | 定義日: | 2018-09-10 | 最終更新日: | 2018-10-05 | 公開日: | 2018-10-10 | 識別子(ID): | 3-chloro-4-(4-methylpiperidin-1-yl)aniline |
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![JJG JJG](https://data.pdbj.org/pdbjplus/data/cc/svg/JJG.svg) | JJG | 表記: | 4-[2-(phenylsulfanyl)ethyl]morpholine | 組成式: | C12 H17 N O S | SMILES: | C1COCCN1CCSc2ccccc2 | InChi: | InChI=1S/C12H17NOS/c1-2-4-12(5-3-1)15-11-8-13-6-9-14-10-7-13/h1-5H,6-11H2 | 定義日: | 2018-09-10 | 最終更新日: | 2018-10-05 | 公開日: | 2018-10-10 | 識別子(ID): | 4-[2-(phenylsulfanyl)ethyl]morpholine |
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![JP4 JP4](https://data.pdbj.org/pdbjplus/data/cc/svg/JP4.svg) | JP4 | 表記: | [2-(morpholin-4-yl)phenyl]methanol | 組成式: | C11 H15 N O2 | SMILES: | C1COCCN1c2ccccc2CO | InChi: | InChI=1S/C11H15NO2/c13-9-10-3-1-2-4-11(10)12-5-7-14-8-6-12/h1-4,13H,5-9H2 | 定義日: | 2018-09-12 | 最終更新日: | 2018-10-05 | 公開日: | 2018-10-10 | 識別子(ID): | [2-(morpholin-4-yl)phenyl]methanol |
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![9OF 9OF](https://data.pdbj.org/pdbjplus/data/cc/svg/9OF.svg) | 9OF | 表記: | 8-methoxy-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4-amine | 組成式: | C15 H17 N3 O | SMILES: | c23c(c1ccc(cc1CC2(C)C)OC)ncnc3N | InChi: | InChI=1S/C15H17N3O/c1-15(2)7-9-6-10(19-3)4-5-11(9)13-12(15)14(16)18-8-17-13/h4-6,8H,7H2,1-3H3,(H2,16,17,18) | 定義日: | 2018-06-14 | 最終更新日: | 2018-09-28 | 公開日: | 2018-10-03 | 識別子(ID): | 8-methoxy-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4-amine |
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![9OL 9OL](https://data.pdbj.org/pdbjplus/data/cc/svg/9OL.svg) | 9OL | 表記: | 5,5-dimethyl-8-[1-(piperidin-4-yl)ethenyl]-5,6-dihydrobenzo[h]quinazolin-4-amine | 組成式: | C21 H26 N4 | SMILES: | c14c(ccc(c1)/C(=C)C2CCNCC2)c3c(c(ncn3)N)C(C4)(C)C | InChi: | InChI=1S/C21H26N4/c1-13(14-6-8-23-9-7-14)15-4-5-17-16(10-15)11-21(2,3)18-19(17)24-12-25-20(18)22/h4-5,10,12,14,23H,1,6-9,11H2,2-3H3,(H2,22,24,25) | 定義日: | 2018-06-14 | 最終更新日: | 2018-09-28 | 公開日: | 2018-10-03 | 識別子(ID): | 5,5-dimethyl-8-[1-(piperidin-4-yl)ethenyl]-5,6-dihydrobenzo[h]quinazolin-4-amine |
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![9M3 9M3](https://data.pdbj.org/pdbjplus/data/cc/svg/9M3.svg) | 9M3 | 表記: | N-[3-(4-amino-6-{[4-(morpholine-4-carbonyl)phenyl]amino}-1,3,5-triazin-2-yl)-2-methylphenyl]-4-tert-butylbenzamide | 組成式: | C32 H35 N7 O3 | SMILES: | c1cc(c(C)c(c1)NC(=O)c2ccc(C(C)(C)C)cc2)c3nc(nc(n3)Nc4ccc(cc4)C(=O)N5CCOCC5)N | InChi: | InChI=1S/C32H35N7O3/c1-20-25(6-5-7-26(20)35-28(40)21-8-12-23(13-9-21)32(2,3)4)27-36-30(33)38-31(37-27)34-24-14-10-22(11-15-24)29(41)39-16-18-42-19-17-39/h5-15H,16-19H2,1-4H3,(H,35,40)(H3,33,34,36,37,38) | 定義日: | 2018-05-31 | 最終更新日: | 2018-09-21 | 公開日: | 2018-09-26 | 識別子(ID): | N-[3-(4-amino-6-{[4-(morpholine-4-carbonyl)phenyl]amino}-1,3,5-triazin-2-yl)-2-methylphenyl]-4-tert-butylbenzamide |
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![FZH FZH](https://data.pdbj.org/pdbjplus/data/cc/svg/FZH.svg) | FZH | 表記: | 8-[[(1~{S},2~{R},3~{R},5~{R})-2-[2-[1,1-bis(oxidanylidene)thian-4-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1~{H}-quinolin-2-one | 組成式: | C30 H38 N4 O3 S | SMILES: | Cc1cncc(c1)c2ccc(N[CH]3C[CH]4CC[CH](N4)[CH]3CCC5CC[S](=O)(=O)CC5)c6NC(=O)C(=Cc26)C | InChi: | InChI=1S/C30H38N4O3S/c1-18-13-21(17-31-16-18)23-6-8-27(29-25(23)14-19(2)30(35)34-29)33-28-15-22-4-7-26(32-22)24(28)5-3-20-9-11-38(36,37)12-10-20/h6,8,13-14,16-17,20,22,24,26,28,32-33H,3-5,7,9-12,15H2,1-2H3,(H,34,35)/t22-,24-,26+,28-/m1/s1 | 定義日: | 2018-08-20 | 最終更新日: | 2018-09-21 | 公開日: | 2018-09-26 | 識別子(ID): | 8-[[(1~{S},2~{R},3~{R},5~{R})-2-[2-[1,1-bis(oxidanylidene)thian-4-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1~{H}-quinolin-2-one |
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