![HNU HNU](https://data.pdbj.org/pdbjplus/data/cc/svg/HNU.svg) | HNU | 表記: | (2~{S})-2-acetamido-~{N}-prop-2-enyl-pentanediamide | 組成式: | C10 H17 N3 O3 | SMILES: | CC(=O)N[CH](CCC(N)=O)C(=O)NCC=C | InChi: | InChI=1S/C10H17N3O3/c1-3-6-12-10(16)8(13-7(2)14)4-5-9(11)15/h3,8H,1,4-6H2,2H3,(H2,11,15)(H,12,16)(H,13,14)/t8-/m0/s1 | 定義日: | 2022-02-07 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | (2~{S})-2-acetamido-~{N}-prop-2-enyl-pentanediamide |
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![BJ6 BJ6](https://data.pdbj.org/pdbjplus/data/cc/svg/BJ6.svg) | BJ6 | 表記: | 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid | 組成式: | C18 H15 N O3 | SMILES: | OC(=O)CCc1oc(c2ccccc2)c(n1)c3ccccc3 | InChi: | InChI=1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21) | 定義日: | 2022-03-29 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid |
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![C9I C9I](https://data.pdbj.org/pdbjplus/data/cc/svg/C9I.svg) | C9I | 表記: | (5~{R})-3-(6-carbamimidoylpyridin-3-yl)-~{N}-[(1~{S})-1-naphthalen-1-ylpropyl]-2-oxidanylidene-1,3-oxazolidine-5-carboxamide | 組成式: | C23 H23 N5 O3 | SMILES: | CC[CH](NC(=O)[CH]1CN(C(=O)O1)c2ccc(nc2)C(N)=N)c3cccc4ccccc34 | InChi: | InChI=1S/C23H23N5O3/c1-2-18(17-9-5-7-14-6-3-4-8-16(14)17)27-22(29)20-13-28(23(30)31-20)15-10-11-19(21(24)25)26-12-15/h3-12,18,20H,2,13H2,1H3,(H3,24,25)(H,27,29)/t18-,20+/m0/s1 | 定義日: | 2021-12-14 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | (5~{R})-3-(6-carbamimidoylpyridin-3-yl)-~{N}-[(1~{S})-1-naphthalen-1-ylpropyl]-2-oxidanylidene-1,3-oxazolidine-5-carboxamide |
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![U9P U9P](https://data.pdbj.org/pdbjplus/data/cc/svg/U9P.svg) | U9P | 表記: | (5M)-N-methyl-5-{(6M,8S)-5-{[(3S)-oxolan-3-yl]amino}-6-[1-(propan-2-yl)-1H-pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl}pyridine-3-carboxamide | 組成式: | C23 H26 N8 O2 | SMILES: | CC(C)n1ccc(n1)c1cn2ncc(c2nc1NC1CCOC1)c1cc(cnc1)C(=O)NC | InChi: | InChI=1S/C23H26N8O2/c1-14(2)30-6-4-20(29-30)19-12-31-22(28-21(19)27-17-5-7-33-13-17)18(11-26-31)15-8-16(10-25-9-15)23(32)24-3/h4,6,8-12,14,17H,5,7,13H2,1-3H3,(H,24,32)(H,27,28)/t17-/m0/s1 | 定義日: | 2022-08-12 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | (5M)-N-methyl-5-{(6M,8S)-5-{[(3S)-oxolan-3-yl]amino}-6-[1-(propan-2-yl)-1H-pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl}pyridine-3-carboxamide |
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![9PJ 9PJ](https://data.pdbj.org/pdbjplus/data/cc/svg/9PJ.svg) | 9PJ | 表記: | 5-(difluoromethyl)-3-{[1-{[(3S)-5-fluoro-2-methyl-6-oxo-3,6-dihydropyridin-3-yl]methyl}-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl]oxy}-2-methylbenzonitrile | 組成式: | C22 H15 F7 N4 O3 | SMILES: | FC(F)C(F)(F)C=1N=CN(CC2C=C(F)C(=O)N=C2C)C(=O)C=1Oc1cc(cc(C#N)c1C)C(F)F | InChi: | InChI=1S/C22H15F7N4O3/c1-9-12(6-30)3-11(18(24)25)5-15(9)36-16-17(22(28,29)21(26)27)31-8-33(20(16)35)7-13-4-14(23)19(34)32-10(13)2/h3-5,8,13,18,21H,7H2,1-2H3/t13-/m0/s1 | 定義日: | 2021-10-25 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | 5-(difluoromethyl)-3-{[1-{[(3S)-5-fluoro-2-methyl-6-oxo-3,6-dihydropyridin-3-yl]methyl}-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl]oxy}-2-methylbenzonitrile |
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![9PS 9PS](https://data.pdbj.org/pdbjplus/data/cc/svg/9PS.svg) | 9PS | 表記: | 4-[(~{E})-2-naphthalen-2-ylethenyl]benzene-1,2-diol | 組成式: | C18 H14 O2 | SMILES: | Oc1ccc(C=Cc2ccc3ccccc3c2)cc1O | InChi: | InChI=1S/C18H14O2/c19-17-10-8-14(12-18(17)20)6-5-13-7-9-15-3-1-2-4-16(15)11-13/h1-12,19-20H/b6-5+ | 定義日: | 2021-11-19 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | 4-[(~{E})-2-naphthalen-2-ylethenyl]benzene-1,2-diol |
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![9QI 9QI](https://data.pdbj.org/pdbjplus/data/cc/svg/9QI.svg) | 9QI | 表記: | 5-(difluoromethyl)-3-({1-[(5-fluoro-2-oxo-1,2-dihydropyridin-3-yl)methyl]-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl}oxy)-2-methylbenzonitrile | 組成式: | C21 H13 F7 N4 O3 | SMILES: | FC(F)C(F)(F)C=1N=CN(CC2=CC(F)=CNC2=O)C(=O)C=1Oc1cc(cc(C#N)c1C)C(F)F | InChi: | InChI=1S/C21H13F7N4O3/c1-9-11(5-29)2-10(17(23)24)4-14(9)35-15-16(21(27,28)20(25)26)31-8-32(19(15)34)7-12-3-13(22)6-30-18(12)33/h2-4,6,8,17,20H,7H2,1H3,(H,30,33) | 定義日: | 2021-10-25 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | 5-(difluoromethyl)-3-({1-[(5-fluoro-2-oxo-1,2-dihydropyridin-3-yl)methyl]-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl}oxy)-2-methylbenzonitrile |
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![9RJ 9RJ](https://data.pdbj.org/pdbjplus/data/cc/svg/9RJ.svg) | 9RJ | 表記: | 4-[(~{E})-2-naphthalen-1-ylethenyl]benzene-1,2-diol | 組成式: | C18 H14 O2 | SMILES: | Oc1ccc(C=Cc2cccc3ccccc23)cc1O | InChi: | InChI=1S/C18H14O2/c19-17-11-9-13(12-18(17)20)8-10-15-6-3-5-14-4-1-2-7-16(14)15/h1-12,19-20H/b10-8+ | 定義日: | 2021-11-19 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | 4-[(~{E})-2-naphthalen-1-ylethenyl]benzene-1,2-diol |
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![9ZL 9ZL](https://data.pdbj.org/pdbjplus/data/cc/svg/9ZL.svg) | 9ZL | 表記: | ~{N}-[[2-(3-chloranyl-4-propan-2-yloxy-phenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine | 組成式: | C19 H17 Cl F3 N3 O S | SMILES: | CC(C)Oc1ccc(cc1Cl)c2sc(CNc3ccnc(c3)C(F)(F)F)cn2 | InChi: | InChI=1S/C19H17ClF3N3OS/c1-11(2)27-16-4-3-12(7-15(16)20)18-26-10-14(28-18)9-25-13-5-6-24-17(8-13)19(21,22)23/h3-8,10-11H,9H2,1-2H3,(H,24,25) | 定義日: | 2021-11-22 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | ~{N}-[[2-(3-chloranyl-4-propan-2-yloxy-phenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine |
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![A0F A0F](https://data.pdbj.org/pdbjplus/data/cc/svg/A0F.svg) | A0F | 表記: | N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine | 組成式: | C22 H16 F3 N3 O S | SMILES: | FC(F)(F)c1cc(NCc2sc(nc2)c3ccc(Oc4ccccc4)cc3)ccn1 | InChi: | InChI=1S/C22H16F3N3OS/c23-22(24,25)20-12-16(10-11-26-20)27-13-19-14-28-21(30-19)15-6-8-18(9-7-15)29-17-4-2-1-3-5-17/h1-12,14H,13H2,(H,26,27) | 別名: | N-((2-(4-phenoxyphenyl)thiazol-5-yl)methyl)-2-(trifluoromethyl)pyridin-4-amine | 定義日: | 2021-11-23 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | ~{N}-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine |
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![90I 90I](https://data.pdbj.org/pdbjplus/data/cc/svg/90I.svg) | 90I | 表記: | benzyl (S)-2-(((S)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)-4-(phenethylamino)butan-2-yl)carbamoyl)pyrrolidine-1-carboxylate | 組成式: | C29 H36 N4 O6 | SMILES: | O[CH]([CH](C[CH]1CCNC1=O)NC(=O)[CH]2CCCN2C(=O)OCc3ccccc3)C(=O)NCCc4ccccc4 | InChi: | InChI=1S/C29H36N4O6/c34-25(28(37)31-15-13-20-8-3-1-4-9-20)23(18-22-14-16-30-26(22)35)32-27(36)24-12-7-17-33(24)29(38)39-19-21-10-5-2-6-11-21/h1-6,8-11,22-25,34H,7,12-19H2,(H,30,35)(H,31,37)(H,32,36)/t22-,23-,24-,25+/m0/s1 | 別名: | (phenylmethyl) (2S)-2-[[(2S)-3,4-bis(oxidanylidene)-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]-4-(2-phenylethylamino)butan-2-yl]carbamoyl]pyrrolidine-1-carboxylate | 定義日: | 2021-11-10 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | (phenylmethyl) (2~{S})-2-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-(2-phenylethylamino)butan-2-yl]carbamoyl]pyrrolidine-1-carboxylate |
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![90X 90X](https://data.pdbj.org/pdbjplus/data/cc/svg/90X.svg) | 90X | 表記: | (S)-1-(2-(2,4-dichlorophenoxy)acetyl)-N-((S)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)-4-(phenethylamino)butan-2-yl)pyrrolidine-2-carboxamide | 組成式: | C29 H34 Cl2 N4 O6 | SMILES: | O[CH]([CH](C[CH]1CCNC1=O)NC(=O)[CH]2CCCN2C(=O)COc3ccc(Cl)cc3Cl)C(=O)NCCc4ccccc4 | InChi: | InChI=1S/C29H34Cl2N4O6/c30-20-8-9-24(21(31)16-20)41-17-25(36)35-14-4-7-23(35)28(39)34-22(15-19-11-13-32-27(19)38)26(37)29(40)33-12-10-18-5-2-1-3-6-18/h1-3,5-6,8-9,16,19,22-23,26,37H,4,7,10-15,17H2,(H,32,38)(H,33,40)(H,34,39)/t19-,22-,23-,26+/m0/s1 | 別名: | (2S)-1-[2-[2,4-bis(chloranyl)phenoxy]ethanoyl]-N-[(2S)-3,4-bis(oxidanylidene)-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]-4-(2-phenylethylamino)butan-2-yl]pyrrolidine-2-carboxamide | 定義日: | 2021-11-10 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | (2~{S})-1-[2-[2,4-bis(chloranyl)phenoxy]ethanoyl]-~{N}-[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-(2-phenylethylamino)butan-2-yl]pyrrolidine-2-carboxamide |
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![CI5 CI5](https://data.pdbj.org/pdbjplus/data/cc/svg/CI5.svg) | CI5 | 表記: | (5~{R})-3-(4-carbamimidoylphenyl)-~{N}-[(1~{S})-1-naphthalen-1-ylpropyl]-2-oxidanylidene-1,3-oxazolidine-5-carboxamide | 組成式: | C24 H24 N4 O3 | SMILES: | CC[CH](NC(=O)[CH]1CN(C(=O)O1)c2ccc(cc2)C(N)=N)c3cccc4ccccc34 | InChi: | InChI=1S/C24H24N4O3/c1-2-20(19-9-5-7-15-6-3-4-8-18(15)19)27-23(29)21-14-28(24(30)31-21)17-12-10-16(11-13-17)22(25)26/h3-13,20-21H,2,14H2,1H3,(H3,25,26)(H,27,29)/t20-,21+/m0/s1 | 定義日: | 2021-12-14 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | (5~{R})-3-(4-carbamimidoylphenyl)-~{N}-[(1~{S})-1-naphthalen-1-ylpropyl]-2-oxidanylidene-1,3-oxazolidine-5-carboxamide |
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![0IE 0IE](https://data.pdbj.org/pdbjplus/data/cc/svg/0IE.svg) | 0IE | 表記: | Siphonaxanthin | 組成式: | C40 H56 O4 | SMILES: | CC1=C(CC(=O)C(CO)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=C[CH]2C(=C[CH](O)CC2(C)C)C)C(C)(C)C[CH](O)C1 | InChi: | InChI=1S/C40H56O4/c1-28(16-12-17-30(3)20-21-36-31(4)22-34(42)25-39(36,6)7)14-10-11-15-29(2)18-13-19-33(27-41)38(44)24-37-32(5)23-35(43)26-40(37,8)9/h10-22,34-36,41-43H,23-27H2,1-9H3/b11-10+,16-12+,18-13+,21-20+,28-14+,29-15+,30-17+,33-19+/t34-,35+,36-/m0/s1 | 定義日: | 2022-01-21 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | (3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3-(hydroxymethyl)-7,12,16-trimethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]-1-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-2-one |
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![JVF JVF](https://data.pdbj.org/pdbjplus/data/cc/svg/JVF.svg) | JVF | 表記: | ~{N}-[2-(diethylamino)ethyl]-2-sulfanyl-benzamide | 組成式: | C13 H20 N2 O S | SMILES: | CCN(CC)CCNC(=O)c1ccccc1S | InChi: | InChI=1S/C13H20N2OS/c1-3-15(4-2)10-9-14-13(16)11-7-5-6-8-12(11)17/h5-8,17H,3-4,9-10H2,1-2H3,(H,14,16) | 定義日: | 2021-12-23 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | ~{N}-[2-(diethylamino)ethyl]-2-sulfanyl-benzamide |
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![JY6 JY6](https://data.pdbj.org/pdbjplus/data/cc/svg/JY6.svg) | JY6 | 表記: | (3~{Z})-3-(3-oxidanylidene-1~{H}-indol-2-ylidene)-1~{H}-indol-2-one | 組成式: | C16 H10 N2 O2 | SMILES: | O=C1Nc2ccccc2C1=C3Nc4ccccc4C3=O | InChi: | InChI=1S/C16H10N2O2/c19-15-10-6-2-4-8-12(10)17-14(15)13-9-5-1-3-7-11(9)18-16(13)20/h1-8,17H,(H,18,20)/b14-13- | 別名: | indirubin | 定義日: | 2022-05-16 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | (3~{Z})-3-(3-oxidanylidene-1~{H}-indol-2-ylidene)-1~{H}-indol-2-one |
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![E3J E3J](https://data.pdbj.org/pdbjplus/data/cc/svg/E3J.svg) | E3J | 表記: | ~{N}-(2-morpholin-4-ylethyl)-2-sulfanyl-benzamide | 組成式: | C13 H18 N2 O2 S | SMILES: | Sc1ccccc1C(=O)NCCN2CCOCC2 | InChi: | InChI=1S/C13H18N2O2S/c16-13(11-3-1-2-4-12(11)18)14-5-6-15-7-9-17-10-8-15/h1-4,18H,5-10H2,(H,14,16) | 定義日: | 2021-12-23 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | ~{N}-(2-morpholin-4-ylethyl)-2-sulfanyl-benzamide |
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![I90 I90](https://data.pdbj.org/pdbjplus/data/cc/svg/I90.svg) | I90 | 表記: | 2-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-(3-nitrophenyl)pyridazin-3-one | 組成式: | C25 H20 N6 O3 | SMILES: | Cn1cc(cn1)c2cnc3ccc(CCN4N=C(C=CC4=O)c5cccc(c5)[N+]([O-])=O)cc3c2 | InChi: | InChI=1S/C25H20N6O3/c1-29-16-21(15-27-29)20-12-19-11-17(5-6-23(19)26-14-20)9-10-30-25(32)8-7-24(28-30)18-3-2-4-22(13-18)31(33)34/h2-8,11-16H,9-10H2,1H3 | 定義日: | 2022-06-17 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | 2-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-(3-nitrophenyl)pyridazin-3-one |
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![I94 I94](https://data.pdbj.org/pdbjplus/data/cc/svg/I94.svg) | I94 | 表記: | ~{N}-methyl-4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxidanylidene-pyridazin-3-yl]-2-(trifluoromethyl)benzamide | 組成式: | C28 H23 F3 N6 O2 | SMILES: | CNC(=O)c1ccc(cc1C(F)(F)F)C2=NN(CCc3ccc4ncc(cc4c3)c5cnn(C)c5)C(=O)C=C2 | InChi: | InChI=1S/C28H23F3N6O2/c1-32-27(39)22-5-4-18(13-23(22)28(29,30)31)25-7-8-26(38)37(35-25)10-9-17-3-6-24-19(11-17)12-20(14-33-24)21-15-34-36(2)16-21/h3-8,11-16H,9-10H2,1-2H3,(H,32,39) | 定義日: | 2022-06-17 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | ~{N}-methyl-4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxidanylidene-pyridazin-3-yl]-2-(trifluoromethyl)benzamide |
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![0UR 0UR](https://data.pdbj.org/pdbjplus/data/cc/svg/0UR.svg) | 0UR | 表記: | Siphonein | 組成式: | C52 H76 O5 | SMILES: | CCCCCCCCCC=CC(=O)OCC(=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=C[CH]1C(=C[CH](O)CC1(C)C)C)C(=O)CC2=C(C)C[CH](O)CC2(C)C | InChi: | InChI=1S/C52H76O5/c1-11-12-13-14-15-16-17-18-19-30-50(56)57-38-44(49(55)35-48-43(6)34-46(54)37-52(48,9)10)29-23-28-40(3)25-21-20-24-39(2)26-22-27-41(4)31-32-47-42(5)33-45(53)36-51(47,7)8/h19-33,45-47,53-54H,11-18,34-38H2,1-10H3/b21-20+,26-22+,28-23+,30-19-,32-31+,39-24+,40-25+,41-27+,44-29+/t45-,46+,47-/m0/s1 | 定義日: | 2022-01-21 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | [(2~{E},4~{E},6~{E},8~{E},10~{E},12~{E},14~{E},16~{E})-6,11,15-trimethyl-17-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]-2-[2-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]ethanoyl]heptadeca-2,4,6,8,10,12,14,16-octaenyl] (~{Z})-dodec-2-enoate |
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![K9I K9I](https://data.pdbj.org/pdbjplus/data/cc/svg/K9I.svg) | K9I | 表記: | (3R,4S,7S,9S,11S)-3,4,11-trihydroxy-7-((R,Z)-4-(hydroxymethyl)hex-2-en-2-yl)-9-methoxy-12,12-dimethyl-6-oxa-1(1,3)-benzenacyclododecaphan-5-one | 組成式: | C26 H40 O7 | SMILES: | CC[CH](CO)C=C(C)[CH]1C[CH](C[CH](O)C(C)(C)c2cccc(C[CH](O)[CH](O)C(=O)O1)c2)OC | InChi: | InChI=1S/C26H40O7/c1-6-17(15-27)10-16(2)22-13-20(32-5)14-23(29)26(3,4)19-9-7-8-18(11-19)12-21(28)24(30)25(31)33-22/h7-11,17,20-24,27-30H,6,12-15H2,1-5H3/b16-10-/t17-,20-,21-,22+,23+,24+/m1/s1 | 定義日: | 2022-05-23 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | (3~{R},4~{S},7~{S},9~{S},11~{S})-7-[(~{Z},4~{R})-4-(hydroxymethyl)hex-2-en-2-yl]-9-methoxy-12,12-dimethyl-3,4,11-tris(oxidanyl)-6-oxabicyclo[11.3.1]heptadeca-1(17),13,15-trien-5-one |
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![KGL KGL](https://data.pdbj.org/pdbjplus/data/cc/svg/KGL.svg) | KGL | 表記: | (1^4Z,5^2E)-6^3-(trifluoromethyl)-5^1,5^6-dihydro-1^1H-8-aza-2(3,6)-quinolina-5(1,3)-pyridazina-1(4,1)-pyrazola-6(1,4)-benzenacyclododecaphane-5^6,7-dione | 組成式: | C30 H25 F3 N6 O2 | SMILES: | FC(F)(F)c1cc2ccc1C(=O)NCCCCn3cc(cn3)c4cnc5ccc(CC[N]6N=C2C=CC6=O)cc5c4 | InChi: | InChI=1S/C30H25F3N6O2/c31-30(32,33)25-15-20-4-5-24(25)29(41)34-10-1-2-11-38-18-23(17-36-38)22-14-21-13-19(3-6-26(21)35-16-22)9-12-39-28(40)8-7-27(20)37-39/h3-8,13-18H,1-2,9-12H2,(H,34,41) | 定義日: | 2022-09-20 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 |
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![HQX HQX](https://data.pdbj.org/pdbjplus/data/cc/svg/HQX.svg) | HQX | 表記: | (2~{S},3~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)-3-methyl-pentanamide | 組成式: | C11 H17 Br N2 O2 | SMILES: | CC[CH](C)[CH](NC(C)=O)C(=O)NCC#CBr | InChi: | InChI=1S/C11H17BrN2O2/c1-4-8(2)10(14-9(3)15)11(16)13-7-5-6-12/h8,10H,4,7H2,1-3H3,(H,13,16)(H,14,15)/t8-,10-/m0/s1 | 定義日: | 2022-02-07 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | (2~{S},3~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)-3-methyl-pentanamide |
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![ET7 ET7](https://data.pdbj.org/pdbjplus/data/cc/svg/ET7.svg) | ET7 | 表記: | ~{N}-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)-2-(4-fluorophenyl)ethanamide | 組成式: | C23 H19 F N2 O2 S | SMILES: | CCN1C(=O)c2ccccc2Sc3cc(NC(=O)Cc4ccc(F)cc4)ccc13 | InChi: | InChI=1S/C23H19FN2O2S/c1-2-26-19-12-11-17(25-22(27)13-15-7-9-16(24)10-8-15)14-21(19)29-20-6-4-3-5-18(20)23(26)28/h3-12,14H,2,13H2,1H3,(H,25,27) | 定義日: | 2022-01-12 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | ~{N}-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)-2-(4-fluorophenyl)ethanamide |
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![M0I M0I](https://data.pdbj.org/pdbjplus/data/cc/svg/M0I.svg) | M0I | 表記: | 4-({N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)benzamido}methyl)-3-fluoro-N-hydroxybenzamide | 組成式: | C26 H27 F N4 O4 | SMILES: | CN(C)c1ccc(cc1)C(=O)N(Cc1ccc(cc1F)C(=O)NO)CC(=O)NCc1ccccc1 | InChi: | InChI=1S/C26H27FN4O4/c1-30(2)22-12-10-19(11-13-22)26(34)31(17-24(32)28-15-18-6-4-3-5-7-18)16-21-9-8-20(14-23(21)27)25(33)29-35/h3-14,35H,15-17H2,1-2H3,(H,28,32)(H,29,33) | 定義日: | 2022-03-10 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | 4-({N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)benzamido}methyl)-3-fluoro-N-hydroxybenzamide |
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