![8DM 8DM](https://data.pdbj.org/pdbjplus/data/cc/svg/8DM.svg) | 8DM | 表記: | N-(4-aminobenzene-1-carbonyl)-L-glutamic acid | 組成式: | C12 H14 N2 O5 | SMILES: | c1(ccc(cc1)C(NC(C(=O)O)CCC(O)=O)=O)N | InChi: | InChI=1S/C12H14N2O5/c13-8-3-1-7(2-4-8)11(17)14-9(12(18)19)5-6-10(15)16/h1-4,9H,5-6,13H2,(H,14,17)(H,15,16)(H,18,19)/t9-/m0/s1 | 定義日: | 2017-01-25 | 最終更新日: | 2017-11-17 | 公開日: | 2017-11-22 | 識別子(ID): | N-(4-aminobenzene-1-carbonyl)-L-glutamic acid |
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![7LY 7LY](https://data.pdbj.org/pdbjplus/data/cc/svg/7LY.svg) | 7LY | 表記: | 2-(benzyloxy)-4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide | 組成式: | C27 H26 N4 O2 | SMILES: | c5(NC(c3ccc(c1cnnc1)cc3OCc2ccccc2)=O)ccc4c(CCNCC4)c5 | InChi: | InChI=1S/C27H26N4O2/c32-27(31-24-8-6-20-10-12-28-13-11-22(20)14-24)25-9-7-21(23-16-29-30-17-23)15-26(25)33-18-19-4-2-1-3-5-19/h1-9,14-17,28H,10-13,18H2,(H,29,30)(H,31,32) | 定義日: | 2016-11-15 | 最終更新日: | 2017-11-17 | 公開日: | 2017-11-22 | 識別子(ID): | 2-(benzyloxy)-4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide |
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![7MY 7MY](https://data.pdbj.org/pdbjplus/data/cc/svg/7MY.svg) | 7MY | 表記: | 7-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-2-({3-[(pyrrolidin-1-yl)methyl]phenyl}amino)-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one | 組成式: | C28 H31 N5 O2 | SMILES: | c21nc(ncc1C(C)(C(N2C3CCc4c3cccc4O)=O)C)Nc6cc(CN5CCCC5)ccc6 | InChi: | InChI=1S/C28H31N5O2/c1-28(2)22-16-29-27(30-19-8-5-7-18(15-19)17-32-13-3-4-14-32)31-25(22)33(26(28)35)23-12-11-21-20(23)9-6-10-24(21)34/h5-10,15-16,23,34H,3-4,11-14,17H2,1-2H3,(H,29,30,31)/t23-/m0/s1 | 定義日: | 2016-11-17 | 最終更新日: | 2017-11-17 | 公開日: | 2017-11-22 | 識別子(ID): | 7-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-2-({3-[(pyrrolidin-1-yl)methyl]phenyl}amino)-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one |
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![8XO 8XO](https://data.pdbj.org/pdbjplus/data/cc/svg/8XO.svg) | 8XO | 表記: | 2-[E-(E-16-azido-2-oxidanylidene-hexadec-3-enylidene)amino]ethanoic acid | 組成式: | C18 H30 N4 O3 | SMILES: | OC(=O)CN=CC(=O)C=CCCCCCCCCCCCCN=[N+]=[N-] | InChi: | InChI=1S/C18H30N4O3/c19-22-21-14-12-10-8-6-4-2-1-3-5-7-9-11-13-17(23)15-20-16-18(24)25/h11,13,15H,1-10,12,14,16H2,(H,24,25)/b13-11+,20-15+ | 定義日: | 2017-11-02 | 最終更新日: | 2017-11-17 | 公開日: | 2017-11-22 | 識別子(ID): | 2-[(~{E})-[(~{E})-16-azido-2-oxidanylidene-hexadec-3-enylidene]amino]ethanoic acid |
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![8Y0 8Y0](https://data.pdbj.org/pdbjplus/data/cc/svg/8Y0.svg) | 8Y0 | 表記: | (E)-N-[(3E)-2-oxo-16-(8-{6-[(trifluoroacetyl)amino]hexanoyl}-8,9-dihydro-1H-dibenzo[b,f][1,2,3]triazolo[4,5-d]azocin-1-yl)hexadec-3-en-1-ylidene]glycine | 組成式: | C41 H51 F3 N6 O5 | SMILES: | OC(=O)CN=CC(=O)C=CCCCCCCCCCCCCn1nnc2c3ccccc3N(Cc4ccccc4c12)C(=O)CCCCCNC(=O)C(F)(F)F | InChi: | InChI=1S/C41H51F3N6O5/c42-41(43,44)40(55)46-26-18-11-13-25-36(52)49-30-31-20-14-15-22-33(31)39-38(34-23-16-17-24-35(34)49)47-48-50(39)27-19-10-8-6-4-2-1-3-5-7-9-12-21-32(51)28-45-29-37(53)54/h12,14-17,20-24,28H,1-11,13,18-19,25-27,29-30H2,(H,46,55)(H,53,54)/b21-12+,45-28+ | 定義日: | 2017-11-06 | 最終更新日: | 2017-11-17 | 公開日: | 2017-11-22 |
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![SI0 SI0](https://data.pdbj.org/pdbjplus/data/cc/svg/SI0.svg) | SI0 | 表記: | [N-(2-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}ethyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](hydrogen peroxido-kappaO)hydroxycopper | 組成式: | C26 H37 Cu N6 O5 S | SMILES: | [Cu]23(n1c(cccc1)CCN2(CCc4n3cccc4)CCNC(CCCCC5C6C(CS5)NC(N6)=O)=O)(O)OO | InChi: | InChI=1S/C26H36N6O2S.Cu.H2O2.H2O/c33-24(10-2-1-9-23-25-22(19-35-23)30-26(34)31-25)29-15-18-32(16-11-20-7-3-5-13-27-20)17-12-21-8-4-6-14-28-21 | 定義日: | 2017-08-15 | 最終更新日: | 2017-11-17 | 公開日: | 2017-11-22 | 識別子(ID): | [N-(2-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}ethyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](hydrogen peroxido-kappaO)hydroxycopper |
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![SI7 SI7](https://data.pdbj.org/pdbjplus/data/cc/svg/SI7.svg) | SI7 | 表記: | [N-(2-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}ethyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](hydroxy)copper | 組成式: | C26 H36 Cu N6 O3 S | SMILES: | [Cu]23(n1c(cccc1)CCN2(CCc4n3cccc4)CCNC(CCCCC6C5NC(NC5CS6)=O)=O)O | InChi: | InChI=1S/C26H36N6O2S.Cu.H2O/c33-24(10-2-1-9-23-25-22(19-35-23)30-26(34)31-25)29-15-18-32(16-11-20-7-3-5-13-27-20)17-12-21-8-4-6-14-28-21 | 定義日: | 2017-07-06 | 最終更新日: | 2017-11-17 | 公開日: | 2017-11-22 | 識別子(ID): | [N-(2-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}ethyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](hydroxy)copper |
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![SI8 SI8](https://data.pdbj.org/pdbjplus/data/cc/svg/SI8.svg) | SI8 | 表記: | [N-(2-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}ethyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](hydrogen peroxido-kappaO)copper | 組成式: | C26 H37 Cu N6 O4 S | SMILES: | [Cu]23(n1c(cccc1)CCN2(CCc4n3cccc4)CCNC(CCCCC6C5NC(NC5CS6)=O)=O)OO | InChi: | InChI=1S/C26H36N6O2S.Cu.H2O2/c33-24(10-2-1-9-23-25-22(19-35-23)30-26(34)31-25)29-15-18-32(16-11-20-7-3-5-13-27-20)17-12-21-8-4-6-14-28-21 | 定義日: | 2017-07-06 | 最終更新日: | 2017-11-17 | 公開日: | 2017-11-22 | 識別子(ID): | [N-(2-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}ethyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](hydrogen peroxido-kappaO)copper |
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![SQ1 SQ1](https://data.pdbj.org/pdbjplus/data/cc/svg/SQ1.svg) | SQ1 | 表記: | [N-(2-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}ethyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide]copper | 組成式: | C26 H36 Cu N6 O2 S | SMILES: | [Cu]15N(CCc2n1cccc2)(CCNC(CCCCC3C4C(CS3)NC(N4)=O)=O)CCc6n5cccc6 | InChi: | InChI=1S/C26H36N6O2S.Cu/c33-24(10-2-1-9-23-25-22(19-35-23)30-26(34)31-25)29-15-18-32(16-11-20-7-3-5-13-27-20)17-12-21-8-4-6-14-28-21 | 定義日: | 2017-07-06 | 最終更新日: | 2017-11-17 | 公開日: | 2017-11-22 | 識別子(ID): | [N-(2-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}ethyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide]copper |
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![8JE 8JE](https://data.pdbj.org/pdbjplus/data/cc/svg/8JE.svg) | 8JE | 表記: | 5-(4-fluorophenyl)-~{N}-[[3-[(~{S})-(1-methylindazol-5-yl)-oxidanyl-methyl]phenyl]methyl]-2,3-bis(oxidanyl)benzamide | 組成式: | C29 H24 F N3 O4 | SMILES: | Cn1ncc2cc(ccc12)[CH](O)c3cccc(CNC(=O)c4cc(cc(O)c4O)c5ccc(F)cc5)c3 | InChi: | InChI=1S/C29H24FN3O4/c1-33-25-10-7-20(12-22(25)16-32-33)27(35)19-4-2-3-17(11-19)15-31-29(37)24-13-21(14-26(34)28(24)36)18-5-8-23(30)9-6-18/h2-14,16,27,34-36H,15H2,1H3,(H,31,37)/t27-/m0/s1 | 定義日: | 2016-12-17 | 最終更新日: | 2017-11-17 | 公開日: | 2017-11-22 | 識別子(ID): | 5-(4-fluorophenyl)-~{N}-[[3-[(~{S})-(1-methylindazol-5-yl)-oxidanyl-methyl]phenyl]methyl]-2,3-bis(oxidanyl)benzamide |
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![8KM 8KM](https://data.pdbj.org/pdbjplus/data/cc/svg/8KM.svg) | 8KM | 表記: | N-(4-cyano-3-cyclopropylphenyl)-1-(4-methylphenyl)methanesulfonamide | 組成式: | C18 H18 N2 O2 S | SMILES: | C1CC1c2c(ccc(c2)NS(Cc3ccc(cc3)C)(=O)=O)C#N | InChi: | InChI=1S/C18H18N2O2S/c1-13-2-4-14(5-3-13)12-23(21,22)20-17-9-8-16(11-19)18(10-17)15-6-7-15/h2-5,8-10,15,20H,6-7,12H2,1H3 | 定義日: | 2017-02-11 | 最終更新日: | 2017-11-17 | 公開日: | 2017-11-22 | 識別子(ID): | N-(4-cyano-3-cyclopropylphenyl)-1-(4-methylphenyl)methanesulfonamide |
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![T65 T65](https://data.pdbj.org/pdbjplus/data/cc/svg/T65.svg) | T65 | 表記: | 2-[E-(E-2-oxidanylidenehexadec-5-enylidene)amino]ethanoic acid | 組成式: | C18 H31 N O3 | SMILES: | CCCCCCCCCCC=CCCC(=O)C=NCC(O)=O | InChi: | InChI=1S/C18H31NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(20)15-19-16-18(21)22/h11-12,15H,2-10,13-14,16H2,1H3,(H,21,22)/b12-11+,19-15+ | 定義日: | 2016-12-01 | 最終更新日: | 2017-11-17 | 公開日: | 2017-11-22 | 識別子(ID): | 2-[(~{E})-[(~{E})-2-oxidanylidenehexadec-5-enylidene]amino]ethanoic acid |
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![AXK AXK](https://data.pdbj.org/pdbjplus/data/cc/svg/AXK.svg) | AXK | 表記: | [(~{S})-[4-[3-[(~{R})-(3,4-dichlorophenyl)-oxidanyl-methyl]phenyl]phenyl]-oxidanyl-methyl]phosphonic acid | 組成式: | C20 H17 Cl2 O5 P | SMILES: | O[CH](c1cccc(c1)c2ccc(cc2)[CH](O)[P](O)(O)=O)c3ccc(Cl)c(Cl)c3 | InChi: | InChI=1S/C20H17Cl2O5P/c21-17-9-8-16(11-18(17)22)19(23)15-3-1-2-14(10-15)12-4-6-13(7-5-12)20(24)28(25,26)27/h1-11,19-20,23-24H,(H2,25,26,27)/t19-,20+/m1/s1 | 定義日: | 2017-08-29 | 最終更新日: | 2017-11-17 | 公開日: | 2017-11-22 | 識別子(ID): | [(~{S})-[4-[3-[(~{R})-(3,4-dichlorophenyl)-oxidanyl-methyl]phenyl]phenyl]-oxidanyl-methyl]phosphonic acid |
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![AY5 AY5](https://data.pdbj.org/pdbjplus/data/cc/svg/AY5.svg) | AY5 | 表記: | [(~{S})-[4-[3-[(~{S})-(3,4-dichlorophenyl)-oxidanyl-methyl]phenyl]phenyl]-oxidanyl-methyl]phosphonic acid | 組成式: | C20 H17 Cl2 O5 P | SMILES: | O[CH](c1cccc(c1)c2ccc(cc2)[CH](O)[P](O)(O)=O)c3ccc(Cl)c(Cl)c3 | InChi: | InChI=1S/C20H17Cl2O5P/c21-17-9-8-16(11-18(17)22)19(23)15-3-1-2-14(10-15)12-4-6-13(7-5-12)20(24)28(25,26)27/h1-11,19-20,23-24H,(H2,25,26,27)/t19-,20-/m0/s1 | 定義日: | 2017-08-30 | 最終更新日: | 2017-11-17 | 公開日: | 2017-11-22 | 識別子(ID): | [(~{S})-[4-[3-[(~{S})-(3,4-dichlorophenyl)-oxidanyl-methyl]phenyl]phenyl]-oxidanyl-methyl]phosphonic acid |
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![AY8 AY8](https://data.pdbj.org/pdbjplus/data/cc/svg/AY8.svg) | AY8 | 表記: | [[3-(3-cyclohexyl-2-oxidanyl-phenyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid | 組成式: | C19 H21 F2 O4 P | SMILES: | Oc1c(cccc1c2cccc(c2)C(F)(F)[P](O)(O)=O)C3CCCCC3 | InChi: | InChI=1S/C19H21F2O4P/c20-19(21,26(23,24)25)15-9-4-8-14(12-15)17-11-5-10-16(18(17)22)13-6-2-1-3-7-13/h4-5,8-13,22H,1-3,6-7H2,(H2,23,24,25) | 定義日: | 2017-08-30 | 最終更新日: | 2017-11-17 | 公開日: | 2017-11-22 | 識別子(ID): | [[3-(3-cyclohexyl-2-oxidanyl-phenyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid |
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![H91 H91](https://data.pdbj.org/pdbjplus/data/cc/svg/H91.svg) | H91 | 表記: | 9-(3,5-dichloro-4-hydroxyphenyl)-1-{trans-4-[(dimethylamino)methyl]cyclohexyl}-3,4-dihydropyrimido[5,4-c]quinolin-2(1H)-one | 組成式: | C26 H28 Cl2 N4 O2 | SMILES: | N(C)(CC5CCC(N1c3c(CNC1=O)cnc2ccc(cc23)c4cc(c(c(c4)Cl)O)Cl)CC5)C | InChi: | InChI=1S/C26H28Cl2N4O2/c1-31(2)14-15-3-6-19(7-4-15)32-24-18(13-30-26(32)34)12-29-23-8-5-16(9-20(23)24)17-10-21(27)25(33)22(28)11-17/h5,8-12,15,19,33H,3-4,6-7,13-14H2,1-2H3,(H,30,34)/t15-,19- | 定義日: | 2016-11-15 | 最終更新日: | 2017-11-17 | 公開日: | 2017-11-22 | 識別子(ID): | 9-(3,5-dichloro-4-hydroxyphenyl)-1-{trans-4-[(dimethylamino)methyl]cyclohexyl}-3,4-dihydropyrimido[5,4-c]quinolin-2(1H)-one |
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![39F 39F](https://data.pdbj.org/pdbjplus/data/cc/svg/39F.svg) | 39F | 表記: | trans-N-{(1S)-1-[4-(3-amino-2H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-4-(aminomethyl)cyclohexane-1-carboxamide | 組成式: | C26 H30 Cl N7 O | SMILES: | c3(nc(C(Cc1ccccc1)NC(=O)C2CCC(CC2)CN)nc3Cl)c4ccc5c(c4)nnc5N | InChi: | InChI=1S/C26H30ClN7O/c27-23-22(18-10-11-19-20(13-18)33-34-24(19)29)31-25(32-23)21(12-15-4-2-1-3-5-15)30-26(35)17-8-6-16(14-28)7-9-17/h1-5,10-11,13,16-17,21H,6-9,12,14,28H2,(H,30,35)(H,31,32)(H3,29,33,34)/t16-,17-,21-/m0/s1 | 定義日: | 2014-07-11 | 最終更新日: | 2017-11-16 | 公開日: | 2014-12-03 | 識別子(ID): | trans-N-{(1S)-1-[4-(3-amino-2H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-4-(aminomethyl)cyclohexane-1-carboxamide |
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![W6Q W6Q](https://data.pdbj.org/pdbjplus/data/cc/svg/W6Q.svg) | W6Q | 表記: | (2~{R},3~{S})-3-azanyl-~{N}-[(2,5-dimethylphenyl)methyl]-2-oxidanyl-butanamide | 組成式: | C13 H20 N2 O2 | SMILES: | C[CH](N)[CH](O)C(=O)NCc1cc(C)ccc1C | InChi: | InChI=1S/C13H20N2O2/c1-8-4-5-9(2)11(6-8)7-15-13(17)12(16)10(3)14/h4-6,10,12,16H,7,14H2,1-3H3,(H,15,17)/t10-,12+/m0/s1 | 定義日: | 2017-01-09 | 最終更新日: | 2017-11-10 | 公開日: | 2017-11-15 | 識別子(ID): | (2~{R},3~{S})-3-azanyl-~{N}-[(2,5-dimethylphenyl)methyl]-2-oxidanyl-butanamide |
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![XXE XXE](https://data.pdbj.org/pdbjplus/data/cc/svg/XXE.svg) | XXE | 表記: | 4-(1H-pyrrol-1-yl)pyridine-2-carboxylic acid | 組成式: | C10 H8 N2 O2 | SMILES: | O=C(O)c1cc(ccn1)n2cccc2 | InChi: | InChI=1S/C10H8N2O2/c13-10(14)9-7-8(3-4-11-9)12-5-1-2-6-12/h1-7H,(H,13,14) | 定義日: | 2017-07-20 | 最終更新日: | 2017-11-10 | 公開日: | 2017-11-15 | 識別子(ID): | 4-(1H-pyrrol-1-yl)pyridine-2-carboxylic acid |
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![XXO XXO](https://data.pdbj.org/pdbjplus/data/cc/svg/XXO.svg) | XXO | 表記: | 2-(furan-2-yl)pyridine-4-carboxylic acid | 組成式: | C10 H7 N O3 | SMILES: | c2(c1nccc(c1)C(O)=O)ccco2 | InChi: | InChI=1S/C10H7NO3/c12-10(13)7-3-4-11-8(6-7)9-2-1-5-14-9/h1-6H,(H,12,13) | 定義日: | 2017-07-20 | 最終更新日: | 2017-11-10 | 公開日: | 2017-11-15 | 識別子(ID): | 2-(furan-2-yl)pyridine-4-carboxylic acid |
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![7J8 7J8](https://data.pdbj.org/pdbjplus/data/cc/svg/7J8.svg) | 7J8 | 表記: | 3-[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-3-(3-hydroxy-3-oxopropyl)-5-methyl-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-1~{H}-pyrrol-3-yl]propanoic acid | 組成式: | C40 H46 N4 O16 | SMILES: | Cc1[nH]c(Cc2[nH]c(Cc3[nH]c(Cc4[nH]cc(CCC(O)=O)c4CC(O)=O)c(CCC(O)=O)c3CC(O)=O)c(CCC(O)=O)c2CC(O)=O)c(CCC(O)=O)c1CC(O)=O | InChi: | InChI=1S/C40H46N4O16/c1-18-23(10-37(53)54)20(3-7-34(47)48)28(42-18)15-31-26(13-40(59)60)22(5-9-36(51)52)30(44-31)16-32-25(12-39(57)58)21(4-8-35(49)50)29(43-32)14-27-24(11-38(55)56)19(17-41-27)2-6-33(45)46/h17,41-44H,2-16H2,1H3,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60) | 定義日: | 2016-11-01 | 最終更新日: | 2017-11-10 | 公開日: | 2017-11-15 | 識別子(ID): | 3-[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-3-(3-hydroxy-3-oxopropyl)-5-methyl-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-1~{H}-pyrrol-3-yl]propanoic acid |
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![7LV 7LV](https://data.pdbj.org/pdbjplus/data/cc/svg/7LV.svg) | 7LV | 表記: | 9-(3,5-dichloro-4-hydroxyphenyl)-1-{trans-4-[(dimethylamino)methyl]cyclohexyl}-3-methyl-3,4-dihydropyrimido[5,4-c][1,5]naphthyridin-2(1H)-one | 組成式: | C26 H29 Cl2 N5 O2 | SMILES: | CN(CC1CCC(CC1)N5c4c3nc(c2cc(c(O)c(Cl)c2)Cl)ccc3ncc4CN(C5=O)C)C | InChi: | InChI=1S/C26H29Cl2N5O2/c1-31(2)13-15-4-6-18(7-5-15)33-24-17(14-32(3)26(33)35)12-29-22-9-8-21(30-23(22)24)16-10-19(27)25(34)20(28)11-16/h8-12,15,18,34H,4-7,13-14H2,1-3H3/t15-,18- | 定義日: | 2016-11-15 | 最終更新日: | 2017-11-10 | 公開日: | 2017-11-15 | 識別子(ID): | 9-(3,5-dichloro-4-hydroxyphenyl)-1-{trans-4-[(dimethylamino)methyl]cyclohexyl}-3-methyl-3,4-dihydropyrimido[5,4-c][1,5]naphthyridin-2(1H)-one |
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![8WR 8WR](https://data.pdbj.org/pdbjplus/data/cc/svg/8WR.svg) | 8WR | 表記: | (3Z,6Z)-3-[(4-tert-butyl-1H-imidazol-5-yl)methylidene]-6-[[3-(phenylcarbonyl)phenyl]methylidene]piperazine-2,5-dione | 組成式: | C26 H24 N4 O3 | SMILES: | CC(C)(C)c1nc[nH]c1C=C2NC(=O)C(NC2=O)=Cc3cccc(c3)C(=O)c4ccccc4 | InChi: | InChI=1S/C26H24N4O3/c1-26(2,3)23-19(27-15-28-23)14-21-25(33)29-20(24(32)30-21)13-16-8-7-11-18(12-16)22(31)17-9-5-4-6-10-17/h4-15H,1-3H3,(H,27,28)(H,29,33)(H,30,32)/b20-13-,21-14- | 定義日: | 2017-10-19 | 最終更新日: | 2017-11-10 | 公開日: | 2017-11-15 | 識別子(ID): | (3~{Z},6~{Z})-3-[(4-~{tert}-butyl-1~{H}-imidazol-5-yl)methylidene]-6-[[3-(phenylcarbonyl)phenyl]methylidene]piperazine-2,5-dione |
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![8YE 8YE](https://data.pdbj.org/pdbjplus/data/cc/svg/8YE.svg) | 8YE | 表記: | [1-(2-hydroxyethyl)pyrrolo[3,4-c]pyrazol-5-yl]-(5-propyl-1,2-oxazol-3-yl)methanone | 組成式: | C14 H16 N4 O3 | SMILES: | CCCc1onc(c1)C(=O)n2cc3cnn(CCO)c3c2 | InChi: | InChI=1S/C14H16N4O3/c1-2-3-11-6-12(16-21-11)14(20)17-8-10-7-15-18(4-5-19)13(10)9-17/h6-9,19H,2-5H2,1H3 | 定義日: | 2017-03-24 | 最終更新日: | 2017-11-10 | 公開日: | 2017-11-15 | 識別子(ID): | [1-(2-hydroxyethyl)pyrrolo[3,4-c]pyrazol-5-yl]-(5-propyl-1,2-oxazol-3-yl)methanone |
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![8YH 8YH](https://data.pdbj.org/pdbjplus/data/cc/svg/8YH.svg) | 8YH | 表記: | ~{N}-butyl-4-methyl-piperidine-1-carboxamide | 組成式: | C11 H22 N2 O | SMILES: | CCCCNC(=O)N1CCC(C)CC1 | InChi: | InChI=1S/C11H22N2O/c1-3-4-7-12-11(14)13-8-5-10(2)6-9-13/h10H,3-9H2,1-2H3,(H,12,14) | 定義日: | 2017-03-24 | 最終更新日: | 2017-11-10 | 公開日: | 2017-11-15 | 識別子(ID): | ~{N}-butyl-4-methyl-piperidine-1-carboxamide |
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