![D07 D07](https://data.pdbj.org/pdbjplus/data/cc/svg/D07.svg) | D07 | 表記: | 6-chloro-N,1-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine | 組成式: | C7 H8 Cl N5 | SMILES: | Cn1c2nc(Cl)nc(NC)c2cn1 | InChi: | InChI=1S/C7H8ClN5/c1-9-5-4-3-10-13(2)6(4)12-7(8)11-5/h3H,1-2H3,(H,9,11,12) | 定義日: | 2017-10-10 | 最終更新日: | 2017-11-17 | 公開日: | 2017-11-22 | 識別子(ID): | 6-chloro-N,1-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
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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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![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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![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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![89U 89U](https://data.pdbj.org/pdbjplus/data/cc/svg/89U.svg) | 89U | 表記: | 10-[(4-methoxy-3-oxidanyl-phenyl)methylidene]anthracen-9-one | 組成式: | C22 H16 O3 | SMILES: | COc1ccc(cc1O)C=C2c3ccccc3C(=O)c4ccccc24 | InChi: | InChI=1S/C22H16O3/c1-25-21-11-10-14(13-20(21)23)12-19-15-6-2-4-8-17(15)22(24)18-9-5-3-7-16(18)19/h2-13,23H,1H3 | 定義日: | 2017-05-23 | 最終更新日: | 2017-11-17 | 公開日: | 2017-11-22 | 識別子(ID): | 10-[(4-methoxy-3-oxidanyl-phenyl)methylidene]anthracen-9-one |
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![8CV 8CV](https://data.pdbj.org/pdbjplus/data/cc/svg/8CV.svg) | 8CV | 表記: | N-(2-phenylethyl)imidodicarbonimidic diamide | 組成式: | C10 H15 N5 | SMILES: | c1(CCNC(=N)N/C(N)=N)ccccc1 | InChi: | InChI=1S/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15) | 定義日: | 2017-01-19 | 最終更新日: | 2017-11-17 | 公開日: | 2017-11-22 | 識別子(ID): | N-(2-phenylethyl)imidodicarbonimidic diamide |
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![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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![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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![DYJ DYJ](https://data.pdbj.org/pdbjplus/data/cc/svg/DYJ.svg) | DYJ | 表記: | 1-[(2E)-4-carboxy-4-oxobut-2-en-2-yl]-L-proline | 組成式: | C10 H13 N O5 | SMILES: | O=C(C1N(/C(C)=C/C(C(=O)O)=O)CCC1)O | InChi: | InChI=1S/C10H13NO5/c1-6(5-8(12)10(15)16)11-4-2-3-7(11)9(13)14/h5,7H,2-4H2,1H3,(H,13,14)(H,15,16)/b6-5+/t7-/m0/s1 | 定義日: | 2017-11-16 | 最終更新日: | 2017-11-17 | 公開日: | 2017-11-22 | 識別子(ID): | 1-[(2E)-4-carboxy-4-oxobut-2-en-2-yl]-L-proline |
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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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![G53 G53](https://data.pdbj.org/pdbjplus/data/cc/svg/G53.svg) | G53 | 表記: | methyl 2-{4-[{(2R,3S)-3-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}-1,3-oxazole-4-carboxylate | 組成式: | C32 H39 N3 O10 S | SMILES: | c1(ccc(cc1)S(=O)(N(CC(O)C(NC(OC2COC3OCCC23)=O)Cc4ccccc4)CC(C)C)=O)c5occ(n5)C(=O)OC | InChi: | InChI=1S/C32H39N3O10S/c1-20(2)16-35(46(39,40)23-11-9-22(10-12-23)29-33-26(18-43-29)30(37)41-3)17-27(36)25(15-21-7-5-4-6-8-21)34-32(38)45-28-19-44-31-24(28)13-14-42-31/h4-12,18,20,24-25,27-28,31,36H,13-17,19H2,1-3H3,(H,34,38)/t24-,25-,27+,28-,31+/m0/s1 | 定義日: | 2017-09-28 | 最終更新日: | 2017-11-17 | 公開日: | 2017-11-22 | 識別子(ID): | methyl 2-{4-[{(2R,3S)-3-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}-1,3-oxazole-4-carboxylate |
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![G65 G65](https://data.pdbj.org/pdbjplus/data/cc/svg/G65.svg) | G65 | 表記: | Masitinib | 組成式: | C28 H30 N6 O S | SMILES: | CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4scc(n4)c5cccnc5)c3 | InChi: | InChI=1S/C28H30N6OS/c1-20-5-10-24(16-25(20)31-28-32-26(19-36-28)23-4-3-11-29-17-23)30-27(35)22-8-6-21(7-9-22)18-34-14-12-33(2)13-15-34/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,30,35)(H,31,32) | 定義日: | 2016-12-21 | 最終更新日: | 2017-11-17 | 公開日: | 2017-11-22 | 識別子(ID): | 4-[(4-methylpiperazin-1-yl)methyl]-~{N}-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide |
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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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![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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![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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![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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![9YN 9YN](https://data.pdbj.org/pdbjplus/data/cc/svg/9YN.svg) | 9YN | 表記: | (2~{S})-~{N}-[(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]-2-azanyl-4-methyl-pentanamide | 組成式: | C16 H25 N7 O4 | SMILES: | CC(C)C[CH](N)C(=O)N[CH]1[CH](O)[CH](CO)O[CH]1n2cnc3c(N)ncnc23 | InChi: | InChI=1S/C16H25N7O4/c1-7(2)3-8(17)15(26)22-10-12(25)9(4-24)27-16(10)23-6-21-11-13(18)19-5-20-14(11)23/h5-10,12,16,24-25H,3-4,17H2,1-2H3,(H,22,26)(H2,18,19,20)/t8-,9+,10+,12+,16+/m0/s1 | 定義日: | 2017-08-03 | 最終更新日: | 2017-11-10 | 公開日: | 2017-11-15 | 識別子(ID): | (2~{S})-~{N}-[(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]-2-azanyl-4-methyl-pentanamide |
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![A1C A1C](https://data.pdbj.org/pdbjplus/data/cc/svg/A1C.svg) | A1C | 表記: | 1-(3-chloro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide | 組成式: | C20 H23 Cl N2 O3 S | SMILES: | c1(cc(Cl)c(C)cc1)CS(Nc3cc2CCC(N(CCC)c2cc3)=O)(=O)=O | InChi: | InChI=1S/C20H23ClN2O3S/c1-3-10-23-19-8-7-17(12-16(19)6-9-20(23)24)22-27(25,26)13-15-5-4-14(2)18(21)11-15/h4-5,7-8,11-12,22H,3,6,9-10,13H2,1-2H3 | 定義日: | 2017-05-16 | 最終更新日: | 2017-11-10 | 公開日: | 2017-11-15 | 識別子(ID): | 1-(3-chloro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide |
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![BWY BWY](https://data.pdbj.org/pdbjplus/data/cc/svg/BWY.svg) | BWY | 表記: | 10-[(S)-(1-tert-butylpiperidin-4-yl)sulfinyl]-2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine | 組成式: | C25 H34 N6 O2 S | SMILES: | c5nc(c4cn3c(c1c(ccc(c1)S(C2CCN(CC2)C(C)(C)C)=O)OCC3)n4)n(n5)C(C)C | InChi: | InChI=1S/C25H34N6O2S/c1-17(2)31-24(26-16-27-31)21-15-29-12-13-33-22-7-6-19(14-20(22)23(29)28-21)34(32)18-8-10-30(11-9-18)25(3,4)5/h6-7,14-18H,8-13H2,1-5H3/t34-/m0/s1 | 定義日: | 2017-09-01 | 最終更新日: | 2017-11-10 | 公開日: | 2017-11-15 | 識別子(ID): | 10-[(S)-(1-tert-butylpiperidin-4-yl)sulfinyl]-2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine |
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