![G3O G3O](https://data.pdbj.org/pdbjplus/data/cc/svg/G3O.svg) | G3O | 表記: | (1R,3S)-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol | 組成式: | C20 H27 N O3 | SMILES: | NC[CH]1O[CH](Cc2c(O)c(O)ccc12)C34CC5CC(CC(C5)C3)C4 | InChi: | InChI=1S/C20H27NO3/c21-10-17-14-1-2-16(22)19(23)15(14)6-18(24-17)20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,11-13,17-18,22-23H,3-10,21H2/t11-,12+,13-,17-,18-,20-/m0/s1 | 定義日: | 2020-07-21 | 最終更新日: | 2021-02-26 | 公開日: | 2021-03-03 | 識別子(ID): | (1~{R},3~{S})-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1~{H}-isochromene-5,6-diol |
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![G3U G3U](https://data.pdbj.org/pdbjplus/data/cc/svg/G3U.svg) | G3U | 表記: | 6-[4-[3-[bis(fluoranyl)methoxy]pyridin-2-yl]oxy-2-methyl-phenyl]-1,5-dimethyl-pyrimidine-2,4-dione | 組成式: | C19 H17 F2 N3 O4 | SMILES: | CN1C(=O)NC(=O)C(=C1c2ccc(Oc3ncccc3OC(F)F)cc2C)C | InChi: | InChI=1S/C19H17F2N3O4/c1-10-9-12(27-17-14(28-18(20)21)5-4-8-22-17)6-7-13(10)15-11(2)16(25)23-19(26)24(15)3/h4-9,18H,1-3H3,(H,23,25,26) | 定義日: | 2020-07-21 | 最終更新日: | 2021-02-26 | 公開日: | 2021-03-03 | 識別子(ID): | 6-[4-[3-[bis(fluoranyl)methoxy]pyridin-2-yl]oxy-2-methyl-phenyl]-1,5-dimethyl-pyrimidine-2,4-dione |
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![G4C G4C](https://data.pdbj.org/pdbjplus/data/cc/svg/G4C.svg) | G4C | 表記: | 2-[2,6-bis(chloranyl)phenyl]-1-[(1S,3R)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone | 組成式: | C24 H29 Cl2 N O3 | SMILES: | C[CH]1N([CH](CO)Cc2c(CCC(C)(C)O)cccc12)C(=O)Cc3c(Cl)cccc3Cl | InChi: | InChI=1S/C24H29Cl2NO3/c1-15-18-7-4-6-16(10-11-24(2,3)30)19(18)12-17(14-28)27(15)23(29)13-20-21(25)8-5-9-22(20)26/h4-9,15,17,28,30H,10-14H2,1-3H3/t15-,17+/m0/s1 | 定義日: | 2020-07-21 | 最終更新日: | 2021-02-26 | 公開日: | 2021-03-03 | 識別子(ID): | 2-[2,6-bis(chloranyl)phenyl]-1-[(1~{S},3~{R})-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]ethanone |
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![GBU GBU](https://data.pdbj.org/pdbjplus/data/cc/svg/GBU.svg) | GBU | 表記: | (1S)-6-chloranyl-3-methyl-1-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol | 組成式: | C18 H20 Cl N O2 | SMILES: | CN1CCc2c(Cl)c(O)c(O)cc2[CH](C1)c3cccc(C)c3 | InChi: | InChI=1S/C18H20ClNO2/c1-11-4-3-5-12(8-11)15-10-20(2)7-6-13-14(15)9-16(21)18(22)17(13)19/h3-5,8-9,15,21-22H,6-7,10H2,1-2H3/t15-/m0/s1 | 定義日: | 2020-08-17 | 最終更新日: | 2021-02-26 | 公開日: | 2021-03-03 | 識別子(ID): | (1~{S})-6-chloranyl-3-methyl-1-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol |
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![F6L F6L](https://data.pdbj.org/pdbjplus/data/cc/svg/F6L.svg) | F6L | 表記: | 4-[[2-[(E)-2-[4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-2H-indol-1-yl]methyl]benzoic acid | 組成式: | C32 H34 N O8 | SMILES: | CC1(C)c2ccccc2[N+](=C1C=Cc3ccc(O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)cc3)Cc5ccc(cc5)C(O)=O | InChi: | InChI=1S/C32H33NO8/c1-32(2)23-5-3-4-6-24(23)33(17-20-7-12-21(13-8-20)30(38)39)26(32)16-11-19-9-14-22(15-10-19)40-31-29(37)28(36)27(35)25(18-34)41-31/h3-16,25,27-29,31,34-37H,17-18H2,1-2H3/p+1/b16-11+/t25-,27+,28+,29-,31-/m1/s1 | 定義日: | 2020-04-02 | 最終更新日: | 2021-02-26 | 公開日: | 2021-03-03 | 識別子(ID): | 4-[[2-[(~{E})-2-[4-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-indol-1-ium-1-yl]methyl]benzoic acid |
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![FH0 FH0](https://data.pdbj.org/pdbjplus/data/cc/svg/FH0.svg) | FH0 | 表記: | ~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-pyridin-3-yl-6,7-dihydro-4~{H}-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidin-2-amine | 組成式: | C26 H28 N8 O | SMILES: | CN1CCN(CC1)c2ccc(Nc3nccc(n3)c4c5COCCn5nc4c6cccnc6)cc2 | InChi: | InChI=1S/C26H28N8O/c1-32-11-13-33(14-12-32)21-6-4-20(5-7-21)29-26-28-10-8-22(30-26)24-23-18-35-16-15-34(23)31-25(24)19-3-2-9-27-17-19/h2-10,17H,11-16,18H2,1H3,(H,28,29,30) | 定義日: | 2020-05-13 | 最終更新日: | 2021-02-26 | 公開日: | 2021-03-03 | 識別子(ID): | ~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-pyridin-3-yl-6,7-dihydro-4~{H}-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidin-2-amine |
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![HFR HFR](https://data.pdbj.org/pdbjplus/data/cc/svg/HFR.svg) | HFR | 表記: | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl N-[(3S)-3-azanyl-3-(3-bromophenyl)propanoyl]sulfamate | 組成式: | C19 H22 Br N7 O7 S | SMILES: | N[CH](CC(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)c4cccc(Br)c4 | InChi: | InChI=1S/C19H22BrN7O7S/c20-10-3-1-2-9(4-10)11(21)5-13(28)26-35(31,32)33-6-12-15(29)16(30)19(34-12)27-8-25-14-17(22)23-7-24-18(14)27/h1-4,7-8,11-12,15-16,19,29-30H,5-6,21H2,(H,26,28)(H2,22,23,24)/t11-,12+,15+,16+,19+/m0/s1 | 定義日: | 2020-12-28 | 最終更新日: | 2021-02-26 | 公開日: | 2021-03-03 | 識別子(ID): | [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(3~{S})-3-azanyl-3-(3-bromophenyl)propanoyl]sulfamate |
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![EZO EZO](https://data.pdbj.org/pdbjplus/data/cc/svg/EZO.svg) | EZO | 表記: | 2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-methyl-hydrazinylidene]methyl]benzoic acid | 組成式: | C18 H14 Cl N3 O2 S | SMILES: | CN(N=Cc1ccccc1C(O)=O)c2scc(n2)c3ccccc3Cl | InChi: | InChI=1S/C18H14ClN3O2S/c1-22(20-10-12-6-2-3-7-13(12)17(23)24)18-21-16(11-25-18)14-8-4-5-9-15(14)19/h2-11H,1H3,(H,23,24)/b20-10+ | 定義日: | 2020-02-27 | 最終更新日: | 2021-02-26 | 公開日: | 2021-03-03 | 識別子(ID): | 2-[(~{E})-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-methyl-hydrazinylidene]methyl]benzoic acid |
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![F4X F4X](https://data.pdbj.org/pdbjplus/data/cc/svg/F4X.svg) | F4X | 表記: | 8-[2-[(E)-2-[4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-indol-1-ium-1-yl]octanoic acid | 組成式: | C32 H42 N O8 | SMILES: | CC1(C)c2ccccc2[N+](=C1C=Cc3ccc(O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)cc3)CCCCCCCC(O)=O | InChi: | InChI=1S/C32H41NO8/c1-32(2)23-10-7-8-11-24(23)33(19-9-5-3-4-6-12-27(35)36)26(32)18-15-21-13-16-22(17-14-21)40-31-30(39)29(38)28(37)25(20-34)41-31/h7-8,10-11,13-18,25,28-31,34,37-39H,3-6,9,12,19-20H2,1-2H3/p+1/b18-15+/t25-,28+,29+,30-,31-/m1/s1 | 定義日: | 2020-03-31 | 最終更新日: | 2021-02-26 | 公開日: | 2021-03-03 | 識別子(ID): | 8-[2-[(~{E})-2-[4-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-indol-1-ium-1-yl]octanoic acid |
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![RR7 RR7](https://data.pdbj.org/pdbjplus/data/cc/svg/RR7.svg) | RR7 | 表記: | 2-deoxy-beta-D-arabino-hexopyranose | 組成式: | C6 H12 O5 | SMILES: | C1(CC(O)C(C(CO)O1)O)O | InChi: | InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5-,6+/m1/s1 | 別名: | 2-deoxy-alpha-D-glucopyranose | 定義日: | 2020-02-24 | 最終更新日: | 2021-02-23 | 公開日: | 2020-07-29 | 識別子(ID): | 2-deoxy-beta-D-arabino-hexopyranose |
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![RRJ RRJ](https://data.pdbj.org/pdbjplus/data/cc/svg/RRJ.svg) | RRJ | 表記: | 4-chloro-4-deoxy-alpha-D-galactopyranose | 組成式: | C6 H11 Cl O5 | SMILES: | OC1C(C(C(C(O1)CO)Cl)O)O | InChi: | InChI=1S/C6H11ClO5/c7-3-2(1-8)12-6(11)5(10)4(3)9/h2-6,8-11H,1H2/t2-,3+,4+,5-,6+/m1/s1 | 定義日: | 2020-02-24 | 最終更新日: | 2021-02-23 | 公開日: | 2020-07-29 | 識別子(ID): | 4-chloro-4-deoxy-alpha-D-galactopyranose |
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![RRY RRY](https://data.pdbj.org/pdbjplus/data/cc/svg/RRY.svg) | RRY | 表記: | 1,6-dichloro-1,6-dideoxy-beta-D-fructofuranose | 組成式: | C6 H10 Cl2 O4 | SMILES: | OC1C(O)C(CCl)OC1(CCl)O | InChi: | InChI=1S/C6H10Cl2O4/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,9-11H,1-2H2/t3-,4-,5+,6-/m1/s1 | 定義日: | 2020-02-24 | 最終更新日: | 2021-02-23 | 公開日: | 2020-07-29 | 識別子(ID): | 1,6-dichloro-1,6-dideoxy-beta-D-fructofuranose |
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![XT7 XT7](https://data.pdbj.org/pdbjplus/data/cc/svg/XT7.svg) | XT7 | 表記: | 5-[(azetidin-3-yl)amino]-N-[(1R)-1-{3-[5-({[(1S,3R)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide | 組成式: | C29 H36 N4 O2 S | SMILES: | CC(NC(c1cc(ccc1C)NC2CNC2)=O)c3cc(ccc3)c5ccc(CNC4CC(CC4)O)s5 | InChi: | InChI=1S/C29H36N4O2S/c1-18-6-7-23(33-24-15-30-16-24)14-27(18)29(35)32-19(2)20-4-3-5-21(12-20)28-11-10-26(36-28)17-31-22-8-9-25(34)13-22/h3-7,10-12,14,19,22,24-25,30-31,33-34H,8-9,13,15-17H2,1-2H3,(H,32,35)/t19-,22+,25-/m1/s1 | 定義日: | 2021-01-12 | 最終更新日: | 2021-02-19 | 公開日: | 2021-02-24 | 識別子(ID): | 5-[(azetidin-3-yl)amino]-N-[(1R)-1-{3-[5-({[(1S,3R)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide |
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![RF8 RF8](https://data.pdbj.org/pdbjplus/data/cc/svg/RF8.svg) | RF8 | 表記: | hexadecanedioic acid | 組成式: | C16 H30 O4 | SMILES: | OC(=O)CCCCCCCCCCCCCCC(O)=O | InChi: | InChI=1S/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20) | 定義日: | 2020-09-28 | 最終更新日: | 2021-02-19 | 公開日: | 2021-02-24 | 識別子(ID): | hexadecanedioic acid |
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![R3J R3J](https://data.pdbj.org/pdbjplus/data/cc/svg/R3J.svg) | R3J | 表記: | benzyl [2-(5-hydroxy-4-{[2-(2-methoxypyridin-4-yl)ethyl]carbamoyl}-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate | 組成式: | C24 H27 N5 O6 | SMILES: | C2(=O)C(=C(C(NCCc1cc(OC)ncc1)=O)N=C(N2)C(NC(OCc3ccccc3)=O)(C)C)O | InChi: | InChI=1S/C24H27N5O6/c1-24(2,29-23(33)35-14-16-7-5-4-6-8-16)22-27-18(19(30)21(32)28-22)20(31)26-12-10-15-9-11-25-17(13-15)34-3/h4-9,11,13,30H,10,12,14H2,1-3H3,(H,26,31)(H,29,33)(H,27,28,32) | 定義日: | 2020-01-28 | 最終更新日: | 2021-02-19 | 公開日: | 2021-02-24 | 識別子(ID): | benzyl [2-(5-hydroxy-4-{[2-(2-methoxypyridin-4-yl)ethyl]carbamoyl}-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate |
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![QS2 QS2](https://data.pdbj.org/pdbjplus/data/cc/svg/QS2.svg) | QS2 | 表記: | 9-cis-okenone | 組成式: | C41 H54 O2 | SMILES: | COC(C)(C)CCC(=O)C(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=Cc1ccc(C)c(C)c1C | InChi: | InChI=1S/C41H54O2/c1-31(19-14-21-33(3)23-16-24-36(6)40(42)29-30-41(9,10)43-11)17-12-13-18-32(2)20-15-22-34(4)25-27-39-28-26-35(5)37(7)38(39)8/h12-28H,29-30H2,1-11H3/b13-12+,19-14+,20-15+,23-16+,27-25+,31-17+,32-18+,33-21+,34-22-,36-24+ | 定義日: | 2020-07-31 | 最終更新日: | 2021-02-19 | 公開日: | 2021-02-24 | 識別子(ID): | (6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{Z},24~{E})-2-methoxy-2,6,10,14,19,23-hexamethyl-25-(2,3,4-trimethylphenyl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-5-one |
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![X3M X3M](https://data.pdbj.org/pdbjplus/data/cc/svg/X3M.svg) | X3M | 表記: | (2R)-2-[2-(4-tert-butylphenyl)ethyl]-2-hydroxybutanedioic acid | 組成式: | C16 H22 O5 | SMILES: | C(c1ccc(cc1)C(C)(C)C)CC(C(O)=O)(CC(O)=O)O | InChi: | InChI=1S/C16H22O5/c1-15(2,3)12-6-4-11(5-7-12)8-9-16(21,14(19)20)10-13(17)18/h4-7,21H,8-10H2,1-3H3,(H,17,18)(H,19,20)/t16-/m1/s1 | 定義日: | 2020-11-24 | 最終更新日: | 2021-02-19 | 公開日: | 2021-02-24 | 識別子(ID): | (2R)-2-[2-(4-tert-butylphenyl)ethyl]-2-hydroxybutanedioic acid |
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![QSE QSE](https://data.pdbj.org/pdbjplus/data/cc/svg/QSE.svg) | QSE | 表記: | all-trans okenone | 組成式: | C41 H54 O2 | SMILES: | COC(C)(C)CCC(=O)C(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=Cc1ccc(C)c(C)c1C | InChi: | InChI=1S/C41H54O2/c1-31(19-14-21-33(3)23-16-24-36(6)40(42)29-30-41(9,10)43-11)17-12-13-18-32(2)20-15-22-34(4)25-27-39-28-26-35(5)37(7)38(39)8/h12-28H,29-30H2,1-11H3/b13-12+,19-14+,20-15+,23-16+,27-25+,31-17+,32-18+,33-21+,34-22+,36-24+ | 定義日: | 2020-07-31 | 最終更新日: | 2021-02-19 | 公開日: | 2021-02-24 | 識別子(ID): | (6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E})-2-methoxy-2,6,10,14,19,23-hexamethyl-25-(2,3,4-trimethylphenyl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-5-one |
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![V9S V9S](https://data.pdbj.org/pdbjplus/data/cc/svg/V9S.svg) | V9S | 表記: | 6-[(8E)-8-{2-[4-(benzylcarbamoyl)-1,3-thiazol-2-yl]hydrazinylidene}-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(2-phenylethoxy)pyridine-2-carboxylic acid | 組成式: | C35 H31 N5 O4 S | SMILES: | s5c(N/N=C4/c3c(ccc(c1ccc(c(C(O)=O)n1)OCCc2ccccc2)c3)CCC4)nc(c5)C(NCc6ccccc6)=O | InChi: | InChI=1S/C35H31N5O4S/c41-33(36-21-24-10-5-2-6-11-24)30-22-45-35(38-30)40-39-29-13-7-12-25-14-15-26(20-27(25)29)28-16-17-31(32(37-28)34(42)43)44-19-18-23-8-3-1-4-9-23/h1-6,8-11,14-17,20,22H,7,12-13,18-19,21H2,(H,36,41)(H,38,40)(H,42,43)/b39-29+ | 定義日: | 2020-07-21 | 最終更新日: | 2021-02-19 | 公開日: | 2021-02-24 | 識別子(ID): | 6-[(8E)-8-{2-[4-(benzylcarbamoyl)-1,3-thiazol-2-yl]hydrazinylidene}-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(2-phenylethoxy)pyridine-2-carboxylic acid |
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![U4V U4V](https://data.pdbj.org/pdbjplus/data/cc/svg/U4V.svg) | U4V | 表記: | 3'-deoxy-3'-(4-{[(4-sulfamoylphenyl)amino]methyl}-1H-1,2,3-triazol-1-yl)thymidine | 組成式: | C19 H23 N7 O6 S | SMILES: | c1(S(=O)(=O)N)ccc(cc1)NCc4nnn(C3CC(N2C=C(C(=O)NC2=O)C)OC3CO)c4 | InChi: | InChI=1S/C19H23N7O6S/c1-11-8-25(19(29)22-18(11)28)17-6-15(16(10-27)32-17)26-9-13(23-24-26)7-21-12-2-4-14(5-3-12)33(20,30)31/h2-5,8-9,15-17,21,27H,6-7,10H2,1H3,(H2,20,30,31)(H,22,28,29)/t15-,16+,17+/m0/s1 | 定義日: | 2020-04-21 | 最終更新日: | 2021-02-19 | 公開日: | 2021-02-24 | 識別子(ID): | 3'-deoxy-3'-(4-{[(4-sulfamoylphenyl)amino]methyl}-1H-1,2,3-triazol-1-yl)thymidine |
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![Y54 Y54](https://data.pdbj.org/pdbjplus/data/cc/svg/Y54.svg) | Y54 | 表記: | 5-[(azetidin-3-yl)amino]-N-[(1R)-1-{3-[5-({[(1R,3S)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide | 組成式: | C29 H36 N4 O2 S | SMILES: | CC(NC(c1cc(ccc1C)NC2CNC2)=O)c3cc(ccc3)c4sc(cc4)CNC5CCC(O)C5 | InChi: | InChI=1S/C29H36N4O2S/c1-18-6-7-23(33-24-15-30-16-24)14-27(18)29(35)32-19(2)20-4-3-5-21(12-20)28-11-10-26(36-28)17-31-22-8-9-25(34)13-22/h3-7,10-12,14,19,22,24-25,30-31,33-34H,8-9,13,15-17H2,1-2H3,(H,32,35)/t19-,22-,25+/m1/s1 | 定義日: | 2021-02-04 | 最終更新日: | 2021-02-19 | 公開日: | 2021-02-24 | 識別子(ID): | 5-[(azetidin-3-yl)amino]-N-[(1R)-1-{3-[5-({[(1R,3S)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide |
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![Y61 Y61](https://data.pdbj.org/pdbjplus/data/cc/svg/Y61.svg) | Y61 | 表記: | N-[(1R)-1-(3-{5-[(acetylamino)methyl]thiophen-2-yl}phenyl)ethyl]-5-[(azetidin-3-yl)amino]-2-methylbenzamide | 組成式: | C26 H30 N4 O2 S | SMILES: | N(C(c1cc(ccc1C)NC2CNC2)=O)C(c3cc(ccc3)c4sc(cc4)CNC(C)=O)C | InChi: | InChI=1S/C26H30N4O2S/c1-16-7-8-21(30-22-13-27-14-22)12-24(16)26(32)29-17(2)19-5-4-6-20(11-19)25-10-9-23(33-25)15-28-18(3)31/h4-12,17,22,27,30H,13-15H2,1-3H3,(H,28,31)(H,29,32)/t17-/m1/s1 | 定義日: | 2021-02-05 | 最終更新日: | 2021-02-19 | 公開日: | 2021-02-24 | 識別子(ID): | N-[(1R)-1-(3-{5-[(acetylamino)methyl]thiophen-2-yl}phenyl)ethyl]-5-[(azetidin-3-yl)amino]-2-methylbenzamide |
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![Z8G Z8G](https://data.pdbj.org/pdbjplus/data/cc/svg/Z8G.svg) | Z8G | 表記: | N-[(3R,3aS,9bS)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-3-yl]-2-hydroxy-2-methylpropanamide | 組成式: | C26 H25 F8 N O4 S | SMILES: | c1(C(C(F)(F)F)(F)C(F)(F)F)cc2c(cc1)C3(C(CC2)C(CC3)NC(=O)C(O)(C)C)S(=O)(c4ccc(cc4)F)=O | InChi: | InChI=1S/C26H25F8NO4S/c1-22(2,37)21(36)35-20-11-12-23(40(38,39)17-7-5-16(27)6-8-17)18-10-4-15(13-14(18)3-9-19(20)23)24(28,25(29,30)31)26(32,33)34/h4-8,10,13,19-20,37H,3,9,11-12H2,1-2H3,(H,35,36)/t19-,20+,23+/m0/s1 | 定義日: | 2020-11-17 | 最終更新日: | 2021-02-19 | 公開日: | 2021-02-24 | 識別子(ID): | N-[(3R,3aS,9bS)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-3-yl]-2-hydroxy-2-methylpropanamide |
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![RQG RQG](https://data.pdbj.org/pdbjplus/data/cc/svg/RQG.svg) | RQG | 表記: | (5-methyl-1-benzofuran-3-yl)acetic acid | 組成式: | C11 H10 O3 | SMILES: | C(Cc2c1cc(C)ccc1oc2)(O)=O | InChi: | InChI=1S/C11H10O3/c1-7-2-3-10-9(4-7)8(6-14-10)5-11(12)13/h2-4,6H,5H2,1H3,(H,12,13) | 定義日: | 2020-02-21 | 最終更新日: | 2021-02-19 | 公開日: | 2021-02-24 | 識別子(ID): | (5-methyl-1-benzofuran-3-yl)acetic acid |
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![SK0 SK0](https://data.pdbj.org/pdbjplus/data/cc/svg/SK0.svg) | SK0 | 表記: | (1R)-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol | 組成式: | C16 H16 Cl N O2 | SMILES: | c31c(CCNCC1c2ccccc2)c(Cl)c(c(c3)O)O | InChi: | InChI=1S/C16H16ClNO2/c17-15-11-6-7-18-9-13(10-4-2-1-3-5-10)12(11)8-14(19)16(15)20/h1-5,8,13,18-20H,6-7,9H2/t13-/m1/s1 | 定義日: | 2020-08-24 | 最終更新日: | 2021-02-19 | 公開日: | 2021-02-24 | 識別子(ID): | (1R)-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol |
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