![G0F G0F](https://data.pdbj.org/pdbjplus/data/cc/svg/G0F.svg) | G0F | 表記: | [6-methyl-4-[(3-methylsulfanylpropylamino)methyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate | 組成式: | C12 H21 N2 O5 P S | SMILES: | CSCCCNCc1c(O)c(C)ncc1CO[P](O)(O)=O | InChi: | InChI=1S/C12H21N2O5PS/c1-9-12(15)11(7-13-4-3-5-21-2)10(6-14-9)8-19-20(16,17)18/h6,13,15H,3-5,7-8H2,1-2H3,(H2,16,17,18) | 定義日: | 2020-07-14 | 最終更新日: | 2021-01-22 | 公開日: | 2021-01-27 | 識別子(ID): | [6-methyl-4-[(3-methylsulfanylpropylamino)methyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate |
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![GOC GOC](https://data.pdbj.org/pdbjplus/data/cc/svg/GOC.svg) | GOC | 表記: | N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(phenylcarbonyl)benzamide | 組成式: | C27 H23 N3 O2 S | SMILES: | Cc1ccc(n2nc3CSCc3c2NC(=O)c4ccc(cc4)C(=O)c5ccccc5)c(C)c1 | InChi: | InChI=1S/C27H23N3O2S/c1-17-8-13-24(18(2)14-17)30-26(22-15-33-16-23(22)29-30)28-27(32)21-11-9-20(10-12-21)25(31)19-6-4-3-5-7-19/h3-14H,15-16H2,1-2H3,(H,28,32) | 定義日: | 2020-09-15 | 最終更新日: | 2021-01-22 | 公開日: | 2021-01-27 | 識別子(ID): | ~{N}-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(phenylcarbonyl)benzamide |
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![GOF GOF](https://data.pdbj.org/pdbjplus/data/cc/svg/GOF.svg) | GOF | 表記: | N-[2-(4-methoxyphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(phenylcarbonyl)benzamide | 組成式: | C26 H21 N3 O5 S | SMILES: | COc1ccc(cc1)n2nc3C[S](=O)(=O)Cc3c2NC(=O)c4ccc(cc4)C(=O)c5ccccc5 | InChi: | InChI=1S/C26H21N3O5S/c1-34-21-13-11-20(12-14-21)29-25(22-15-35(32,33)16-23(22)28-29)27-26(31)19-9-7-18(8-10-19)24(30)17-5-3-2-4-6-17/h2-14H,15-16H2,1H3,(H,27,31) | 定義日: | 2020-09-15 | 最終更新日: | 2021-01-22 | 公開日: | 2021-01-27 | 識別子(ID): | ~{N}-[2-(4-methoxyphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(phenylcarbonyl)benzamide |
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![VXG VXG](https://data.pdbj.org/pdbjplus/data/cc/svg/VXG.svg) | VXG | 表記: | (3S,4R)-1-acetyl-4-phenylpyrrolidine-3-carboxylic acid | 組成式: | C13 H15 N O3 | SMILES: | N2(C(C)=O)CC(c1ccccc1)C(C2)C(=O)O | InChi: | InChI=1S/C13H15NO3/c1-9(15)14-7-11(12(8-14)13(16)17)10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3,(H,16,17)/t11-,12+/m0/s1 | 定義日: | 2020-09-17 | 最終更新日: | 2021-01-19 | 公開日: | 2020-09-30 | 識別子(ID): | (3S,4R)-1-acetyl-4-phenylpyrrolidine-3-carboxylic acid |
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![W47 W47](https://data.pdbj.org/pdbjplus/data/cc/svg/W47.svg) | W47 | 表記: | 1-{(1S,2S)-1-(2,4-difluorophenyl)-2-[2-(3-methyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)phenoxy]cyclopropyl}methanamine | 組成式: | C21 H18 F5 N3 O | SMILES: | Cc4cc(c1c(ccc(C(F)(F)F)c1)OC2CC2(CN)c3ccc(cc3F)F)nn4 | InChi: | InChI=1S/C21H18F5N3O/c1-11-6-17(29-28-11)14-7-12(21(24,25)26)2-5-18(14)30-19-9-20(19,10-27)15-4-3-13(22)8-16(15)23/h2-8,19H,9-10,27H2,1H3,(H,28,29)/t19-,20+/m0/s1 | 定義日: | 2020-09-26 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | 1-{(1S,2S)-1-(2,4-difluorophenyl)-2-[2-(3-methyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)phenoxy]cyclopropyl}methanamine |
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![QST QST](https://data.pdbj.org/pdbjplus/data/cc/svg/QST.svg) | QST | 表記: | (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid | 組成式: | C10 H17 N O4 S2 | SMILES: | CCOC(=O)[C]1(CS)N[CH](C(O)=O)C(C)(C)S1 | InChi: | InChI=1S/C10H17NO4S2/c1-4-15-8(14)10(5-16)11-6(7(12)13)9(2,3)17-10/h6,11,16H,4-5H2,1-3H3,(H,12,13)/t6-,10+/m0/s1 | 定義日: | 2020-08-03 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid |
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![QT2 QT2](https://data.pdbj.org/pdbjplus/data/cc/svg/QT2.svg) | QT2 | 表記: | (2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid | 組成式: | C10 H17 N O4 S2 | SMILES: | CCOC(=O)[C]1(CS)N[CH](C(O)=O)C(C)(C)S1 | InChi: | InChI=1S/C10H17NO4S2/c1-4-15-8(14)10(5-16)11-6(7(12)13)9(2,3)17-10/h6,11,16H,4-5H2,1-3H3,(H,12,13)/t6-,10-/m1/s1 | 定義日: | 2020-08-04 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | (2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid |
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![X5Y X5Y](https://data.pdbj.org/pdbjplus/data/cc/svg/X5Y.svg) | X5Y | 表記: | tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | 組成式: | C31 H39 N3 O3 S | SMILES: | C(SC(C(NCCCc1cnccc1)=O)Cc2ccccc2)C(Cc3ccccc3)NC(OC(C)(C)C)=O | InChi: | InChI=1S/C31H39N3O3S/c1-31(2,3)37-30(36)34-27(20-24-12-6-4-7-13-24)23-38-28(21-25-14-8-5-9-15-25)29(35)33-19-11-17-26-16-10-18-32-22-26/h4-10,12-16,18,22,27-28H,11,17,19-21,23H2,1-3H3,(H,33,35)(H,34,36)/t27-,28+/m0/s1 | 定義日: | 2020-12-01 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate |
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![X6J X6J](https://data.pdbj.org/pdbjplus/data/cc/svg/X6J.svg) | X6J | 表記: | tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate | 組成式: | C35 H41 N3 O3 S | SMILES: | C(C(Cc1cccc2ccccc12)NC(OC(C)(C)C)=O)SC(C(=O)NCCCc3cccnc3)Cc4ccccc4 | InChi: | InChI=1S/C35H41N3O3S/c1-35(2,3)41-34(40)38-30(23-29-18-9-17-28-16-7-8-19-31(28)29)25-42-32(22-26-12-5-4-6-13-26)33(39)37-21-11-15-27-14-10-20-36-24-27/h4-10,12-14,16-20,24,30,32H,11,15,21-23,25H2,1-3H3,(H,37,39)(H,38,40)/t30-,32+/m1/s1 | 定義日: | 2020-12-01 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate |
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![X6S X6S](https://data.pdbj.org/pdbjplus/data/cc/svg/X6S.svg) | X6S | 表記: | tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate | 組成式: | C35 H41 N3 O3 S | SMILES: | C(C(=O)NCCCc1cnccc1)(Cc2ccccc2)SCC(Cc4c3c(cccc3)ccc4)NC(OC(C)(C)C)=O | InChi: | InChI=1S/C35H41N3O3S/c1-35(2,3)41-34(40)38-30(23-29-18-9-17-28-16-7-8-19-31(28)29)25-42-32(22-26-12-5-4-6-13-26)33(39)37-21-11-15-27-14-10-20-36-24-27/h4-10,12-14,16-20,24,30,32H,11,15,21-23,25H2,1-3H3,(H,37,39)(H,38,40)/t30-,32+/m0/s1 | 定義日: | 2020-12-01 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate |
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![VRM VRM](https://data.pdbj.org/pdbjplus/data/cc/svg/VRM.svg) | VRM | 表記: | 3-(3-methyl-1H-pyrazol-5-yl)pyridine | 組成式: | C9 H9 N3 | SMILES: | c1(cc(C)nn1)c2cnccc2 | InChi: | InChI=1S/C9H9N3/c1-7-5-9(12-11-7)8-3-2-4-10-6-8/h2-6H,1H3,(H,11,12) | 定義日: | 2020-09-11 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | 3-(3-methyl-1H-pyrazol-5-yl)pyridine |
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![X6V X6V](https://data.pdbj.org/pdbjplus/data/cc/svg/X6V.svg) | X6V | 表記: | tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate | 組成式: | C33 H40 N4 O3 S | SMILES: | C(SCC(Cc2c1c(cccc1)nc2)NC(OC(C)(C)C)=O)(C(=O)NCCCc3cnccc3)Cc4ccccc4 | InChi: | InChI=1S/C33H40N4O3S/c1-33(2,3)40-32(39)37-27(20-26-22-36-29-16-8-7-15-28(26)29)23-41-30(19-24-11-5-4-6-12-24)31(38)35-18-10-14-25-13-9-17-34-21-25/h4-9,11-13,15-17,21-22,27,30,36H,10,14,18-20,23H2,1-3H3,(H,35,38)(H,37,39)/t27-,30+/m0/s1 | 定義日: | 2020-12-01 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate |
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![X71 X71](https://data.pdbj.org/pdbjplus/data/cc/svg/X71.svg) | X71 | 表記: | tert-butyl [(2S)-1-{[(2R)-2-benzyl-3-oxo-3-{[3-(pyridin-3-yl)propyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate | 組成式: | C32 H41 N3 O3 S | SMILES: | C(c1ccccc1)C(C(=O)NCCCc2cnccc2)CSCC(NC(OC(C)(C)C)=O)Cc3ccccc3 | InChi: | InChI=1S/C32H41N3O3S/c1-32(2,3)38-31(37)35-29(21-26-14-8-5-9-15-26)24-39-23-28(20-25-12-6-4-7-13-25)30(36)34-19-11-17-27-16-10-18-33-22-27/h4-10,12-16,18,22,28-29H,11,17,19-21,23-24H2,1-3H3,(H,34,36)(H,35,37)/t28-,29-/m0/s1 | 定義日: | 2020-12-01 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | tert-butyl [(2S)-1-{[(2R)-2-benzyl-3-oxo-3-{[3-(pyridin-3-yl)propyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate |
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![X74 X74](https://data.pdbj.org/pdbjplus/data/cc/svg/X74.svg) | X74 | 表記: | tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate | 組成式: | C35 H41 N3 O3 S | SMILES: | CC(OC(NC(CSC(C(NCCCc1cnccc1)=O)Cc2ccccc2)Cc3cccc4c3cccc4)=O)(C)C | InChi: | InChI=1S/C35H41N3O3S/c1-35(2,3)41-34(40)38-30(23-29-18-9-17-28-16-7-8-19-31(28)29)25-42-32(22-26-12-5-4-6-13-26)33(39)37-21-11-15-27-14-10-20-36-24-27/h4-10,12-14,16-20,24,30,32H,11,15,21-23,25H2,1-3H3,(H,37,39)(H,38,40)/t30-,32-/m1/s1 | 定義日: | 2020-12-01 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate |
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![X7D X7D](https://data.pdbj.org/pdbjplus/data/cc/svg/X7D.svg) | X7D | 表記: | tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate | 組成式: | C35 H41 N3 O3 S | SMILES: | CC(C)(OC(NC(Cc1cccc2c1cccc2)CSC(C(=O)NCCCc3cnccc3)Cc4ccccc4)=O)C | InChi: | InChI=1S/C35H41N3O3S/c1-35(2,3)41-34(40)38-30(23-29-18-9-17-28-16-7-8-19-31(28)29)25-42-32(22-26-12-5-4-6-13-26)33(39)37-21-11-15-27-14-10-20-36-24-27/h4-10,12-14,16-20,24,30,32H,11,15,21-23,25H2,1-3H3,(H,37,39)(H,38,40)/t30-,32-/m0/s1 | 定義日: | 2020-12-01 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate |
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![X7J X7J](https://data.pdbj.org/pdbjplus/data/cc/svg/X7J.svg) | X7J | 表記: | tert-butyl [(2R)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | 組成式: | C31 H39 N3 O3 S | SMILES: | C(C(Cc1ccccc1)NC(OC(C)(C)C)=O)SC(C(NCCCc2cnccc2)=O)Cc3ccccc3 | InChi: | InChI=1S/C31H39N3O3S/c1-31(2,3)37-30(36)34-27(20-24-12-6-4-7-13-24)23-38-28(21-25-14-8-5-9-15-25)29(35)33-19-11-17-26-16-10-18-32-22-26/h4-10,12-16,18,22,27-28H,11,17,19-21,23H2,1-3H3,(H,33,35)(H,34,36)/t27-,28-/m1/s1 | 定義日: | 2020-12-01 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | tert-butyl [(2R)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate |
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![X7M X7M](https://data.pdbj.org/pdbjplus/data/cc/svg/X7M.svg) | X7M | 表記: | tert-butyl [(2S)-1-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | 組成式: | C31 H39 N3 O3 S | SMILES: | C(C(C(=O)NCCCc1cnccc1)SCC(Cc2ccccc2)NC(=O)OC(C)(C)C)c3ccccc3 | InChi: | InChI=1S/C31H39N3O3S/c1-31(2,3)37-30(36)34-27(20-24-12-6-4-7-13-24)23-38-28(21-25-14-8-5-9-15-25)29(35)33-19-11-17-26-16-10-18-32-22-26/h4-10,12-16,18,22,27-28H,11,17,19-21,23H2,1-3H3,(H,33,35)(H,34,36)/t27-,28-/m0/s1 | 定義日: | 2020-12-01 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | tert-butyl [(2S)-1-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate |
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![X7P X7P](https://data.pdbj.org/pdbjplus/data/cc/svg/X7P.svg) | X7P | 表記: | tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | 組成式: | C31 H39 N3 O3 S | SMILES: | C(SC(C(NCCCc1cnccc1)=O)Cc2ccccc2)C(Cc3ccccc3)NC(OC(C)(C)C)=O | InChi: | InChI=1S/C31H39N3O3S/c1-31(2,3)37-30(36)34-27(20-24-12-6-4-7-13-24)23-38-28(21-25-14-8-5-9-15-25)29(35)33-19-11-17-26-16-10-18-32-22-26/h4-10,12-16,18,22,27-28H,11,17,19-21,23H2,1-3H3,(H,33,35)(H,34,36)/t27-,28+/m1/s1 | 定義日: | 2020-12-01 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate |
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![Z7G Z7G](https://data.pdbj.org/pdbjplus/data/cc/svg/Z7G.svg) | Z7G | 表記: | {3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}methanol | 組成式: | C17 H18 Cl2 O3 | SMILES: | c1(c(Cl)cc(cc1Cl)CO)Oc2ccc(c(c2)C(C)C)OC | InChi: | InChI=1S/C17H18Cl2O3/c1-10(2)13-8-12(4-5-16(13)21-3)22-17-14(18)6-11(9-20)7-15(17)19/h4-8,10,20H,9H2,1-3H3 | 定義日: | 2020-12-04 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | {3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}methanol |
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![Z7H Z7H](https://data.pdbj.org/pdbjplus/data/cc/svg/Z7H.svg) | Z7H | 表記: | N-{3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}-2-(pyridin-3-yl)acetamide | 組成式: | C23 H22 Cl2 N2 O3 | SMILES: | c1(cnccc1)CC(Nc3cc(c(Oc2ccc(c(c2)C(C)C)OC)c(c3)Cl)Cl)=O | InChi: | InChI=1S/C23H22Cl2N2O3/c1-14(2)18-12-17(6-7-21(18)29-3)30-23-19(24)10-16(11-20(23)25)27-22(28)9-15-5-4-8-26-13-15/h4-8,10-14H,9H2,1-3H3,(H,27,28) | 定義日: | 2020-12-04 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | N-{3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}-2-(pyridin-3-yl)acetamide |
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![Z7I Z7I](https://data.pdbj.org/pdbjplus/data/cc/svg/Z7I.svg) | Z7I | 表記: | N-(3,5-dichloro-4-{[6-methoxy-5-(propan-2-yl)pyridin-3-yl]oxy}phenyl)-2-[1-(methylsulfonyl)piperidin-4-yl]acetamide | 組成式: | C23 H29 Cl2 N3 O5 S | SMILES: | c1(c(ncc(c1)Oc2c(Cl)cc(cc2Cl)NC(=O)CC3CCN(S(C)(=O)=O)CC3)OC)C(C)C | InChi: | InChI=1S/C23H29Cl2N3O5S/c1-14(2)18-12-17(13-26-23(18)32-3)33-22-19(24)10-16(11-20(22)25)27-21(29)9-15-5-7-28(8-6-15)34(4,30)31/h10-15H,5-9H2,1-4H3,(H,27,29) | 定義日: | 2020-12-04 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | N-(3,5-dichloro-4-{[6-methoxy-5-(propan-2-yl)pyridin-3-yl]oxy}phenyl)-2-[1-(methylsulfonyl)piperidin-4-yl]acetamide |
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![VTA VTA](https://data.pdbj.org/pdbjplus/data/cc/svg/VTA.svg) | VTA | 表記: | 4-{[(1R,2R)-2-(2,4-difluorophenyl)cyclopropyl]oxy}-3-(5-methyl-1H-pyrazol-3-yl)benzonitrile | 組成式: | C20 H15 F2 N3 O | SMILES: | c4(c1cc(C#N)ccc1OC2CC2c3ccc(cc3F)F)cc(C)nn4 | InChi: | InChI=1S/C20H15F2N3O/c1-11-6-18(25-24-11)16-7-12(10-23)2-5-19(16)26-20-9-15(20)14-4-3-13(21)8-17(14)22/h2-8,15,20H,9H2,1H3,(H,24,25)/t15-,20-/m1/s1 | 定義日: | 2020-09-11 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | 4-{[(1R,2R)-2-(2,4-difluorophenyl)cyclopropyl]oxy}-3-(5-methyl-1H-pyrazol-3-yl)benzonitrile |
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![VTD VTD](https://data.pdbj.org/pdbjplus/data/cc/svg/VTD.svg) | VTD | 表記: | 3-(3-chlorophenyl)-5-methyl-1H-pyrazole | 組成式: | C10 H9 Cl N2 | SMILES: | c1(cc(C)nn1)c2cc(ccc2)Cl | InChi: | InChI=1S/C10H9ClN2/c1-7-5-10(13-12-7)8-3-2-4-9(11)6-8/h2-6H,1H3,(H,12,13) | 定義日: | 2020-09-11 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | 3-(3-chlorophenyl)-5-methyl-1H-pyrazole |
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![S40 S40](https://data.pdbj.org/pdbjplus/data/cc/svg/S40.svg) | S40 | 表記: | 3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide | 組成式: | C23 H23 N3 O3 S | SMILES: | Cc1ccc(cc1N[S](=O)(=O)c2ccc(cc2)C3CC3)C(=O)NCc4cccnc4 | InChi: | InChI=1S/C23H23N3O3S/c1-16-4-5-20(23(27)25-15-17-3-2-12-24-14-17)13-22(16)26-30(28,29)21-10-8-19(9-11-21)18-6-7-18/h2-5,8-14,18,26H,6-7,15H2,1H3,(H,25,27) | 定義日: | 2020-01-21 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | 3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-~{N}-(pyridin-3-ylmethyl)benzamide |
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![QZV QZV](https://data.pdbj.org/pdbjplus/data/cc/svg/QZV.svg) | QZV | 表記: | 2,2'-{ethane-1,2-diylbis[oxyethane-2,1-diylcarbamoyl-4,1-phenyleneethyne-2,1-diyl(5-methyl-1-benzofuran-2,3-diyl)]}diacetic acid | 組成式: | C46 H40 N2 O10 | SMILES: | c6c(C#Cc2c(CC(O)=O)c1c(ccc(C)c1)o2)ccc(C(NCCOCCOCCNC(=O)c3ccc(cc3)C#Cc4oc5c(c4CC(O)=O)cc(cc5)C)=O)c6 | InChi: | InChI=1S/C46H40N2O10/c1-29-3-15-39-35(25-29)37(27-43(49)50)41(57-39)17-9-31-5-11-33(12-6-31)45(53)47-19-21-55-23-24-56-22-20-48-46(54)34-13-7-32(8-14-34)10-18-42-38(28-44(51)52)36-26-30(2)4-16-40(36)58-42/h3-8,11-16,25-26H,19-24,27-28H2,1-2H3,(H,47,53)(H,48,54)(H,49,50)(H,51,52) | 定義日: | 2020-01-20 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | 2,2'-{ethane-1,2-diylbis[oxyethane-2,1-diylcarbamoyl-4,1-phenyleneethyne-2,1-diyl(5-methyl-1-benzofuran-2,3-diyl)]}diacetic acid |
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