![8XX 8XX](https://data.pdbj.org/pdbjplus/data/cc/svg/8XX.svg) | 8XX | 表記: | (3~{R})-4-cyclopropyl-~{N},1,3-trimethyl-~{N}-(4-methylphenyl)-2-oxidanylidene-3~{H}-quinoxaline-6-carboxamide | 組成式: | C22 H25 N3 O2 | SMILES: | C[CH]1N(C2CC2)c3cc(ccc3N(C)C1=O)C(=O)N(C)c4ccc(C)cc4 | InChi: | InChI=1S/C22H25N3O2/c1-14-5-8-17(9-6-14)23(3)22(27)16-7-12-19-20(13-16)25(18-10-11-18)15(2)21(26)24(19)4/h5-9,12-13,15,18H,10-11H2,1-4H3/t15-/m1/s1 | 定義日: | 2017-11-06 | 最終更新日: | 2018-11-02 | 公開日: | 2018-11-07 | 識別子(ID): | (3~{R})-4-cyclopropyl-~{N},1,3-trimethyl-~{N}-(4-methylphenyl)-2-oxidanylidene-3~{H}-quinoxaline-6-carboxamide |
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![975 975](https://data.pdbj.org/pdbjplus/data/cc/svg/975.svg) | 975 | 表記: | 4-(2-hydroxyethyl)benzene-1,2-diol | 組成式: | C8 H10 O3 | SMILES: | OCCc1ccc(O)c(O)c1 | InChi: | InChI=1S/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2 | 定義日: | 2017-04-26 | 最終更新日: | 2018-11-02 | 公開日: | 2018-11-07 | 識別子(ID): | 4-(2-hydroxyethyl)benzene-1,2-diol |
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![DXM DXM](https://data.pdbj.org/pdbjplus/data/cc/svg/DXM.svg) | DXM | 表記: | N-(3-{5-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide | 組成式: | C25 H24 F2 N6 O2 S | SMILES: | C1=C(C(=O)N(C)N=C1c2ccc(c(c2F)NC(=O)c3cc4c(s3)CCCC4)F)Nc5nn(C)c(c5)C | InChi: | InChI=1S/C25H24F2N6O2S/c1-13-10-21(31-32(13)2)28-18-12-17(30-33(3)25(18)35)15-8-9-16(26)23(22(15)27)29-24(34)20-11-14-6-4-5-7-19(14)36-20/h8-12H,4-7H2,1-3H3,(H,28,31)(H,29,34) | 定義日: | 2017-11-10 | 最終更新日: | 2018-11-02 | 公開日: | 2018-11-07 | 識別子(ID): | N-(3-{5-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide |
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![DY4 DY4](https://data.pdbj.org/pdbjplus/data/cc/svg/DY4.svg) | DY4 | 表記: | N-(3-{5-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide | 組成式: | C24 H22 F2 N6 O2 S | SMILES: | C=4C(c3c(c(NC(c2cc1c(CCCC1)s2)=O)c(F)cc3)F)=NNC(C=4Nc5nn(C)c(c5)C)=O | InChi: | InChI=1S/C24H22F2N6O2S/c1-12-9-20(31-32(12)2)27-17-11-16(29-30-23(17)33)14-7-8-15(25)22(21(14)26)28-24(34)19-10-13-5-3-4-6-18(13)35-19/h7-11H,3-6H2,1-2H3,(H,28,34)(H,30,33)(H,27,29,31) | 定義日: | 2017-11-13 | 最終更新日: | 2018-11-02 | 公開日: | 2018-11-07 | 識別子(ID): | N-(3-{5-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide |
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![FT8 FT8](https://data.pdbj.org/pdbjplus/data/cc/svg/FT8.svg) | FT8 | 表記: | Omapatrilat | 組成式: | C19 H24 N2 O4 S2 | SMILES: | OC(=O)[CH]1CCC[CH]2SCC[CH](NC(=O)[CH](S)Cc3ccccc3)C(=O)N12 | InChi: | InChI=1S/C19H24N2O4S2/c22-17(15(26)11-12-5-2-1-3-6-12)20-13-9-10-27-16-8-4-7-14(19(24)25)21(16)18(13)23/h1-3,5-6,13-16,26H,4,7-11H2,(H,20,22)(H,24,25)/t13-,14-,15-,16-/m0/s1 | 定義日: | 2018-07-25 | 最終更新日: | 2018-11-02 | 公開日: | 2018-11-07 | 識別子(ID): | (4~{S},7~{S},10~{a}~{S})-5-oxidanylidene-4-[[(2~{S})-3-phenyl-2-sulfanyl-propanoyl]amino]-2,3,4,7,8,9,10,10~{a}-octahydropyrido[2,1-b][1,3]thiazepine-7-carboxylic acid |
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![FY5 FY5](https://data.pdbj.org/pdbjplus/data/cc/svg/FY5.svg) | FY5 | 表記: | estrone 3-sulfate | 組成式: | C18 H22 O5 S | SMILES: | C[C]12CC[CH]3[CH](CCc4cc(O[S](O)(=O)=O)ccc34)[CH]1CCC2=O | InChi: | InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16-,18-/m0/s1 | 定義日: | 2018-08-16 | 最終更新日: | 2018-11-02 | 公開日: | 2018-11-07 | 識別子(ID): | [(8~{S},9~{R},13~{S},14~{S})-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6~{H}-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate |
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![H7P H7P](https://data.pdbj.org/pdbjplus/data/cc/svg/H7P.svg) | H7P | 表記: | (2R)-N-(4-chlorophenyl)-2-[cis-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide | 組成式: | C24 H24 Cl F N2 O | SMILES: | C3(c2c1c(ccc(c1)F)ncc2)CCC(CC3)C(C(Nc4ccc(cc4)Cl)=O)C | InChi: | InChI=1S/C24H24ClFN2O/c1-15(24(29)28-20-9-6-18(25)7-10-20)16-2-4-17(5-3-16)21-12-13-27-23-11-8-19(26)14-22(21)23/h6-17H,2-5H2,1H3,(H,28,29)/t15-,16-,17+/m1/s1 | 定義日: | 2018-06-12 | 最終更新日: | 2018-11-02 | 公開日: | 2018-11-07 | 識別子(ID): | (2R)-N-(4-chlorophenyl)-2-[cis-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide |
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![HG4 HG4](https://data.pdbj.org/pdbjplus/data/cc/svg/HG4.svg) | HG4 | 表記: | 1,1'-(butane-1,4-diyl)bis{2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1H-benzimidazole-5-carboxamide} | 組成式: | C34 H38 N12 O4 | SMILES: | c6(cc(C(Nc2n(c1c(cc(cc1)C(N)=O)n2)CCCCn5c(NC(c3n(CC)nc(c3)C)=O)nc4c5ccc(c4)C(=O)N)=O)n(CC)n6)C | InChi: | InChI=1S/C34H38N12O4/c1-5-45-27(15-19(3)41-45)31(49)39-33-37-23-17-21(29(35)47)9-11-25(23)43(33)13-7-8-14-44-26-12-10-22(30(36)48)18-24(26)38-34(44)40-32(50)28-16-20(4)42-46(28)6-2/h9-12,15-18H,5-8,13-14H2,1-4H3,(H2,35,47)(H2,36,48)(H,37,39,49)(H,38,40,50) | 定義日: | 2018-06-29 | 最終更新日: | 2018-11-02 | 公開日: | 2018-11-07 | 識別子(ID): | 1,1'-(butane-1,4-diyl)bis{2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1H-benzimidazole-5-carboxamide} |
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![HGJ HGJ](https://data.pdbj.org/pdbjplus/data/cc/svg/HGJ.svg) | HGJ | 表記: | 2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1-[(2R)-2-hydroxy-2-phenylethyl]-1H-benzimidazole-5-carboxamide | 組成式: | C23 H24 N6 O3 | SMILES: | c1c3c(cc(c1)C(N)=O)nc(NC(c2cc(nn2CC)C)=O)n3CC(O)c4ccccc4 | InChi: | InChI=1S/C23H24N6O3/c1-3-29-19(11-14(2)27-29)22(32)26-23-25-17-12-16(21(24)31)9-10-18(17)28(23)13-20(30)15-7-5-4-6-8-15/h4-12,20,30H,3,13H2,1-2H3,(H2,24,31)(H,25,26,32)/t20-/m0/s1 | 定義日: | 2018-06-29 | 最終更新日: | 2018-11-02 | 公開日: | 2018-11-07 | 識別子(ID): | 2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1-[(2R)-2-hydroxy-2-phenylethyl]-1H-benzimidazole-5-carboxamide |
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![DS7 DS7](https://data.pdbj.org/pdbjplus/data/cc/svg/DS7.svg) | DS7 | 表記: | 1,2,5-trimethyl-1H-pyrrole-3-carboxylic acid | 組成式: | C8 H11 N O2 | SMILES: | Cn1c(c(C(O)=O)cc1C)C | InChi: | InChI=1S/C8H11NO2/c1-5-4-7(8(10)11)6(2)9(5)3/h4H,1-3H3,(H,10,11) | 定義日: | 2017-11-02 | 最終更新日: | 2018-11-02 | 公開日: | 2018-11-07 | 識別子(ID): | 1,2,5-trimethyl-1H-pyrrole-3-carboxylic acid |
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![DTJ DTJ](https://data.pdbj.org/pdbjplus/data/cc/svg/DTJ.svg) | DTJ | 表記: | 4-tert-butyl-N-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridazin-3-yl)phenyl]benzamide | 組成式: | C33 H36 N6 O5 | SMILES: | CC(c5ccc(C(=O)Nc1cccc(c1CO)C2=NN(C(C(=C2)Nc3ccc(cn3)C(=O)N4CCOCC4)=O)C)cc5)(C)C | InChi: | InChI=1S/C33H36N6O5/c1-33(2,3)23-11-8-21(9-12-23)30(41)36-26-7-5-6-24(25(26)20-40)27-18-28(32(43)38(4)37-27)35-29-13-10-22(19-34-29)31(42)39-14-16-44-17-15-39/h5-13,18-19,40H,14-17,20H2,1-4H3,(H,34,35)(H,36,41) | 定義日: | 2017-11-03 | 最終更新日: | 2018-11-02 | 公開日: | 2018-11-07 | 識別子(ID): | 4-tert-butyl-N-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridazin-3-yl)phenyl]benzamide |
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![DU7 DU7](https://data.pdbj.org/pdbjplus/data/cc/svg/DU7.svg) | DU7 | 表記: | 4-chloro-6-methylpyrimidin-2-amine | 組成式: | C5 H6 Cl N3 | SMILES: | c1(N)nc(Cl)cc(n1)C | InChi: | InChI=1S/C5H6ClN3/c1-3-2-4(6)9-5(7)8-3/h2H,1H3,(H2,7,8,9) | 定義日: | 2017-11-06 | 最終更新日: | 2018-11-02 | 公開日: | 2018-11-07 | 識別子(ID): | 4-chloro-6-methylpyrimidin-2-amine |
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![DVD DVD](https://data.pdbj.org/pdbjplus/data/cc/svg/DVD.svg) | DVD | 表記: | N-[2-(hydroxymethyl)-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl]-1-benzothiophene-2-carboxamide | 組成式: | C27 H25 N7 O3 S | SMILES: | C6n5c(cc(NC4=CC(c1c(c(ccc1)NC(c3cc2c(cccc2)s3)=O)CO)=NNC4=O)n5)CN(C6)C | InChi: | InChI=1S/C27H25N7O3S/c1-33-9-10-34-17(14-33)12-25(32-34)28-22-13-21(30-31-26(22)36)18-6-4-7-20(19(18)15-35)29-27(37)24-11-16-5-2-3-8-23(16)38-24/h2-8,11-13,35H,9-10,14-15H2,1H3,(H,29,37)(H,31,36)(H,28,30,32) | 定義日: | 2017-11-09 | 最終更新日: | 2018-11-02 | 公開日: | 2018-11-07 | 識別子(ID): | N-[2-(hydroxymethyl)-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl]-1-benzothiophene-2-carboxamide |
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![DVJ DVJ](https://data.pdbj.org/pdbjplus/data/cc/svg/DVJ.svg) | DVJ | 表記: | N-[2-(2-hydroxyethyl)-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl]-1-benzothiophene-2-carboxamide | 組成式: | C28 H27 N7 O3 S | SMILES: | C1CN(C)Cc2cc(nn12)NC3=CC(=NNC3=O)c4cccc(c4CCO)NC(=O)c6cc5ccccc5s6 | InChi: | InChI=1S/C28H27N7O3S/c1-34-10-11-35-18(16-34)14-26(33-35)29-23-15-22(31-32-27(23)37)19-6-4-7-21(20(19)9-12-36)30-28(38)25-13-17-5-2-3-8-24(17)39-25/h2-8,13-15,36H,9-12,16H2,1H3,(H,30,38)(H,32,37)(H,29,31,33) | 定義日: | 2017-11-09 | 最終更新日: | 2018-11-02 | 公開日: | 2018-11-07 | 識別子(ID): | N-[2-(2-hydroxyethyl)-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl]-1-benzothiophene-2-carboxamide |
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![DW4 DW4](https://data.pdbj.org/pdbjplus/data/cc/svg/DW4.svg) | DW4 | 表記: | benzyl [(8S,11S,14S)-11-(cyclohexylmethyl)-8-(hydroxymethyl)-5,10,13-trioxo-1,4,9,12,17,18-hexaazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate | 組成式: | C29 H41 N7 O6 | SMILES: | C(OCc1ccccc1)(=O)NC2C(=O)NC(C(NC(CCC(NCCn3cc(C2)nn3)=O)CO)=O)CC4CCCCC4 | InChi: | InChI=1S/C29H41N7O6/c37-18-22-11-12-26(38)30-13-14-36-17-23(34-35-36)16-25(33-29(41)42-19-21-9-5-2-6-10-21)28(40)32-24(27(39)31-22)15-20-7-3-1-4-8-20/h2,5-6,9-10,17,20,22,24-25,37H,1,3-4,7-8,11-16,18-19H2,(H,30,38)(H,31,39)(H,32,40)(H,33,41)/t22-,24-,25-/m0/s1 | 定義日: | 2017-11-09 | 最終更新日: | 2018-11-02 | 公開日: | 2018-11-07 | 識別子(ID): | benzyl [(8S,11S,14S)-11-(cyclohexylmethyl)-8-(hydroxymethyl)-5,10,13-trioxo-1,4,9,12,17,18-hexaazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate |
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![DW7 DW7](https://data.pdbj.org/pdbjplus/data/cc/svg/DW7.svg) | DW7 | 表記: | benzyl [(9S,12S,15S)-12-(cyclohexylmethyl)-9-(hydroxymethyl)-6,11,14-trioxo-1,5,10,13,18,19-hexaazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate | 組成式: | C30 H43 N7 O6 | SMILES: | C(OCc1ccccc1)(=O)NC2Cc4cn(CCCNC(CCC(NC(C(NC2=O)CC3CCCCC3)=O)CO)=O)nn4 | InChi: | InChI=1S/C30H43N7O6/c38-19-23-12-13-27(39)31-14-7-15-37-18-24(35-36-37)17-26(34-30(42)43-20-22-10-5-2-6-11-22)29(41)33-25(28(40)32-23)16-21-8-3-1-4-9-21/h2,5-6,10-11,18,21,23,25-26,38H,1,3-4,7-9,12-17,19-20H2,(H,31,39)(H,32,40)(H,33,41)(H,34,42)/t23-,25-,26-/m0/s1 | 定義日: | 2017-11-09 | 最終更新日: | 2018-11-02 | 公開日: | 2018-11-07 | 識別子(ID): | benzyl [(9S,12S,15S)-12-(cyclohexylmethyl)-9-(hydroxymethyl)-6,11,14-trioxo-1,5,10,13,18,19-hexaazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate |
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![F0Q F0Q](https://data.pdbj.org/pdbjplus/data/cc/svg/F0Q.svg) | F0Q | 表記: | 1-[(4-aminophenyl)methyl]-3-[2-[(2~{R})-2-(2-bromophenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-1-[(2-methyl-1,2,3,4-tetrazol-5-yl)methyl]urea | 組成式: | C23 H27 Br N8 O2 | SMILES: | Cn1nnc(CN(Cc2ccc(N)cc2)C(=O)NCC(=O)N3CCC[CH]3c4ccccc4Br)n1 | InChi: | InChI=1S/C23H27BrN8O2/c1-30-28-21(27-29-30)15-31(14-16-8-10-17(25)11-9-16)23(34)26-13-22(33)32-12-4-7-20(32)18-5-2-3-6-19(18)24/h2-3,5-6,8-11,20H,4,7,12-15,25H2,1H3,(H,26,34)/t20-/m1/s1 | 定義日: | 2018-05-16 | 最終更新日: | 2018-11-02 | 公開日: | 2018-11-07 | 識別子(ID): | 1-[(4-aminophenyl)methyl]-3-[2-[(2~{R})-2-(2-bromophenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-1-[(2-methyl-1,2,3,4-tetrazol-5-yl)methyl]urea |
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![F0W F0W](https://data.pdbj.org/pdbjplus/data/cc/svg/F0W.svg) | F0W | 表記: | ethyl 2-[[(4-aminophenyl)methyl-[(2-methyl-1,2,3,4-tetrazol-5-yl)methyl]carbamoyl]amino]ethanoate | 組成式: | C15 H21 N7 O3 | SMILES: | CCOC(=O)CNC(=O)N(Cc1ccc(N)cc1)Cc2nnn(C)n2 | InChi: | InChI=1S/C15H21N7O3/c1-3-25-14(23)8-17-15(24)22(10-13-18-20-21(2)19-13)9-11-4-6-12(16)7-5-11/h4-7H,3,8-10,16H2,1-2H3,(H,17,24) | 定義日: | 2018-05-16 | 最終更新日: | 2018-11-02 | 公開日: | 2018-11-07 | 識別子(ID): | ethyl 2-[[(4-aminophenyl)methyl-[(2-methyl-1,2,3,4-tetrazol-5-yl)methyl]carbamoyl]amino]ethanoate |
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![F1E F1E](https://data.pdbj.org/pdbjplus/data/cc/svg/F1E.svg) | F1E | 表記: | ethyl 2-[[(4-aminophenyl)methyl-[(1-methyl-1,2,3-triazol-4-yl)methyl]carbamoyl]amino]ethanoate | 組成式: | C16 H22 N6 O3 | SMILES: | CCOC(=O)CNC(=O)N(Cc1ccc(N)cc1)Cc2cn(C)nn2 | InChi: | InChI=1S/C16H22N6O3/c1-3-25-15(23)8-18-16(24)22(11-14-10-21(2)20-19-14)9-12-4-6-13(17)7-5-12/h4-7,10H,3,8-9,11,17H2,1-2H3,(H,18,24) | 定義日: | 2018-05-16 | 最終更新日: | 2018-11-02 | 公開日: | 2018-11-07 | 識別子(ID): | ethyl 2-[[(4-aminophenyl)methyl-[(1-methyl-1,2,3-triazol-4-yl)methyl]carbamoyl]amino]ethanoate |
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![F1Z F1Z](https://data.pdbj.org/pdbjplus/data/cc/svg/F1Z.svg) | F1Z | 表記: | ethyl 2-[[(4-aminophenyl)methyl-prop-2-ynyl-carbamoyl]amino]ethanoate | 組成式: | C15 H19 N3 O3 | SMILES: | CCOC(=O)CNC(=O)N(CC#C)Cc1ccc(N)cc1 | InChi: | InChI=1S/C15H19N3O3/c1-3-9-18(11-12-5-7-13(16)8-6-12)15(20)17-10-14(19)21-4-2/h1,5-8H,4,9-11,16H2,2H3,(H,17,20) | 定義日: | 2018-05-17 | 最終更新日: | 2018-11-02 | 公開日: | 2018-11-07 | 識別子(ID): | ethyl 2-[[(4-aminophenyl)methyl-prop-2-ynyl-carbamoyl]amino]ethanoate |
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![F3Q F3Q](https://data.pdbj.org/pdbjplus/data/cc/svg/F3Q.svg) | F3Q | 表記: | ~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide | 組成式: | C43 H42 N4 O6 | SMILES: | Oc1ccc(cc1)N(C(=O)c2cc(n3CCCCc23)c4cc5OCOc5cc4C(=O)N6Cc7ccccc7C[CH]6CN8CCOCC8)c9ccccc9 | InChi: | InChI=1S/C43H42N4O6/c48-34-15-13-32(14-16-34)47(31-10-2-1-3-11-31)43(50)37-23-39(45-17-7-6-12-38(37)45)35-24-40-41(53-28-52-40)25-36(35)42(49)46-26-30-9-5-4-8-29(30)22-33(46)27-44-18-20-51-21-19-44/h1-5,8-11,13-16,23-25,33,48H,6-7,12,17-22,26-28H2/t33-/m0/s1 | 定義日: | 2018-05-24 | 最終更新日: | 2018-11-02 | 公開日: | 2018-11-07 | 識別子(ID): | ~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide |
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![7N0 7N0](https://data.pdbj.org/pdbjplus/data/cc/svg/7N0.svg) | 7N0 | 表記: | 2-[(1~{S})-2-oxidanylidenecyclopentyl]ethanoic acid | 組成式: | C7 H10 O3 | SMILES: | OC(=O)C[CH]1CCCC1=O | InChi: | InChI=1S/C7H10O3/c8-6-3-1-2-5(6)4-7(9)10/h5H,1-4H2,(H,9,10)/t5-/m0/s1 | 定義日: | 2016-11-22 | 最終更新日: | 2018-11-02 | 公開日: | 2018-11-07 | 識別子(ID): | 2-[(1~{S})-2-oxidanylidenecyclopentyl]ethanoic acid |
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![8L9 8L9](https://data.pdbj.org/pdbjplus/data/cc/svg/8L9.svg) | 8L9 | 表記: | 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid | 組成式: | C20 H14 Br Cl2 F N2 O6 S2 | SMILES: | Cc1cc(F)c(Br)cc1N[S](=O)(=O)c2ccc(N[S](=O)(=O)c3cc(Cl)cc(Cl)c3)cc2C(O)=O | InChi: | InChI=1S/C20H14BrCl2FN2O6S2/c1-10-4-17(24)16(21)9-18(10)26-34(31,32)19-3-2-13(8-15(19)20(27)28)25-33(29,30)14-6-11(22)5-12(23)7-14/h2-9,25-26H,1H3,(H,27,28) | 定義日: | 2017-07-28 | 最終更新日: | 2018-11-02 | 公開日: | 2018-11-07 | 識別子(ID): | 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid |
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![EYS EYS](https://data.pdbj.org/pdbjplus/data/cc/svg/EYS.svg) | EYS | 表記: | S-SELANYLCYSTEINAL | 組成式: | C3 H8 N O S Se | SMILES: | O=CC([NH3+])CS[SeH] | InChi: | InChI=1S/C3H7NOSSe/c4-3(1-5)2-6-7/h1,3,7H,2,4H2/p+1/t3-/m1/s1 | 定義日: | 1999-07-08 | 最終更新日: | 2018-10-30 | 識別子(ID): | (2R)-1-oxo-3-(selanylsulfanyl)propan-2-aminium |
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![RY RY](https://data.pdbj.org/pdbjplus/data/cc/svg/RY.svg) | RY | 表記: | 5'-3,6-dihydrocytidylic acid | 組成式: | C9 H16 N3 O8 P | SMILES: | P(O)(OCC1OC(C(C1O)O)N2CC=C(NC2=O)N)(O)=O | InChi: | InChI=1S/C9H16N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1,4,6-8,13-14H,2-3,10H2,(H,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 | 定義日: | 2018-09-06 | 最終更新日: | 2018-10-26 | 公開日: | 2018-10-31 | 識別子(ID): | 5'-3,6-dihydrocytidylic acid |
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