![ON2 ON2](https://data.pdbj.org/pdbjplus/data/cc/svg/ON2.svg) | ON2 | Name: | N-[6-(3-azanylpropanoylamino)-1,3-benzothiazol-2-yl]-3,4-bis(chloranyl)-5-methyl-1H-pyrrole-2-carboxamide | Formula: | C16 H15 Cl2 N5 O2 S | SMILES: | Cc1[nH]c(C(=O)Nc2sc3cc(NC(=O)CCN)ccc3n2)c(Cl)c1Cl | InChi: | InChI=1S/C16H15Cl2N5O2S/c1-7-12(17)13(18)14(20-7)15(25)23-16-22-9-3-2-8(6-10(9)26-16)21-11(24)4-5-19/h2-3,6,20H,4-5,19H2,1H3,(H,21,24)(H,22,23,25) | Definition date: | 2020-03-20 | Last modified: | 2021-07-07 | Release date: | 2020-12-30 | Identifier: | ~{N}-[6-(3-azanylpropanoylamino)-1,3-benzothiazol-2-yl]-3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrole-2-carboxamide |
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![PV5 PV5](https://data.pdbj.org/pdbjplus/data/cc/svg/PV5.svg) | PV5 | Name: | 5-fluoranyl-4-[[[8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]amino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile | Formula: | C21 H16 F N7 O | SMILES: | Cc1ncccc1c2cnc(NCc3c(F)cc(C#N)c4OCCc34)n5cnnc25 | InChi: | InChI=1S/C21H16FN7O/c1-12-14(3-2-5-24-12)17-10-26-21(29-11-27-28-20(17)29)25-9-16-15-4-6-30-19(15)13(8-23)7-18(16)22/h2-3,5,7,10-11H,4,6,9H2,1H3,(H,25,26) | Definition date: | 2020-04-28 | Last modified: | 2021-07-07 | Release date: | 2021-05-12 | Identifier: | 5-fluoranyl-4-[[[8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]amino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile |
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![L9T L9T](https://data.pdbj.org/pdbjplus/data/cc/svg/L9T.svg) | L9T | Name: | N-(1,3-benzodioxol-4-ylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine | Formula: | C16 H16 N4 O2 S | SMILES: | Cn1ccc(n1)c2sc(NCc3cccc4OCOc34)nc2C | InChi: | InChI=1S/C16H16N4O2S/c1-10-15(12-6-7-20(2)19-12)23-16(18-10)17-8-11-4-3-5-13-14(11)22-9-21-13/h3-7H,8-9H2,1-2H3,(H,17,18) | Definition date: | 2019-08-01 | Last modified: | 2021-07-07 | Release date: | 2019-09-25 | Identifier: | ~{N}-(1,3-benzodioxol-4-ylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine |
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![L9W L9W](https://data.pdbj.org/pdbjplus/data/cc/svg/L9W.svg) | L9W | Name: | N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine | Formula: | C21 H19 N5 O3 S | SMILES: | C[S](=O)(=O)c1ccc(cc1)c2cnc(NCc3cccc4OCCc34)n5cnnc25 | InChi: | InChI=1S/C21H19N5O3S/c1-30(27,28)16-7-5-14(6-8-16)18-12-23-21(26-13-24-25-20(18)26)22-11-15-3-2-4-19-17(15)9-10-29-19/h2-8,12-13H,9-11H2,1H3,(H,22,23) | Definition date: | 2019-08-01 | Last modified: | 2021-07-07 | Release date: | 2019-09-25 | Identifier: | ~{N}-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine |
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![WFA WFA](https://data.pdbj.org/pdbjplus/data/cc/svg/WFA.svg) | WFA | Name: | 1-[2-({3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propyl}amino)phenyl]piperidine-4-carboxylic acid | Formula: | C21 H30 N6 O3 | SMILES: | c1(ccccc1N2CCC(C(O)=O)CC2)NCCCOc3c(CC)nc(nc3N)N | InChi: | InChI=1S/C21H30N6O3/c1-2-15-18(19(22)26-21(23)25-15)30-13-5-10-24-16-6-3-4-7-17(16)27-11-8-14(9-12-27)20(28)29/h3-4,6-7,14,24H,2,5,8-13H2,1H3,(H,28,29)(H4,22,23,25,26) | Definition date: | 2020-10-26 | Last modified: | 2021-07-02 | Release date: | 2021-07-07 | Identifier: | 1-[2-({3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propyl}amino)phenyl]piperidine-4-carboxylic acid |
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![WFJ WFJ](https://data.pdbj.org/pdbjplus/data/cc/svg/WFJ.svg) | WFJ | Name: | 1-[2-(3-{[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]methyl}azetidin-1-yl)phenyl]piperidine-4-carboxylic acid | Formula: | C22 H30 N6 O3 | SMILES: | CCc1c(c(N)nc(n1)N)OCC2CN(C2)c3c(cccc3)N4CCC(CC4)C(O)=O | InChi: | InChI=1S/C22H30N6O3/c1-2-16-19(20(23)26-22(24)25-16)31-13-14-11-28(12-14)18-6-4-3-5-17(18)27-9-7-15(8-10-27)21(29)30/h3-6,14-15H,2,7-13H2,1H3,(H,29,30)(H4,23,24,25,26) | Definition date: | 2020-10-26 | Last modified: | 2021-07-02 | Release date: | 2021-07-07 | Identifier: | 1-[2-(3-{[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]methyl}azetidin-1-yl)phenyl]piperidine-4-carboxylic acid |
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![XTJ XTJ](https://data.pdbj.org/pdbjplus/data/cc/svg/XTJ.svg) | XTJ | Name: | (3-fluorophenyl)methyl [(2S)-3-cyclopropyl-1-oxo-1-({(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)propan-2-yl]carbamate | Formula: | C21 H28 F N3 O5 | SMILES: | C3(=O)C(CC(CO)NC(C(CC1CC1)NC(=O)OCc2cccc(c2)F)=O)CCN3 | InChi: | InChI=1S/C21H28FN3O5/c22-16-3-1-2-14(8-16)12-30-21(29)25-18(9-13-4-5-13)20(28)24-17(11-26)10-15-6-7-23-19(15)27/h1-3,8,13,15,17-18,26H,4-7,9-12H2,(H,23,27)(H,24,28)(H,25,29)/t15-,17-,18-/m0/s1 | Definition date: | 2021-01-12 | Last modified: | 2021-07-02 | Release date: | 2021-07-07 | Identifier: | (3-fluorophenyl)methyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate |
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![XTP XTP](https://data.pdbj.org/pdbjplus/data/cc/svg/XTP.svg) | XTP | Name: | benzyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate | Formula: | C21 H29 N3 O5 | SMILES: | C3(=O)C(CC(CO)NC(C(CC1CC1)NC(=O)OCc2ccccc2)=O)CCN3 | InChi: | InChI=1S/C21H29N3O5/c25-12-17(11-16-8-9-22-19(16)26)23-20(27)18(10-14-6-7-14)24-21(28)29-13-15-4-2-1-3-5-15/h1-5,14,16-18,25H,6-13H2,(H,22,26)(H,23,27)(H,24,28)/t16-,17-,18-/m0/s1 | Definition date: | 2021-01-13 | Last modified: | 2021-07-02 | Release date: | 2021-07-07 | Identifier: | benzyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate |
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![TVT TVT](https://data.pdbj.org/pdbjplus/data/cc/svg/TVT.svg) | TVT | Name: | 2-methyl-2-(3-methyl-4-{[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1H-pyrazol-1-yl)propanenitrile | Formula: | C14 H16 F3 N7 | SMILES: | CNc1nc(Nc2cn(nc2C)C(C)(C)C#N)ncc1C(F)(F)F | InChi: | InChI=1S/C14H16F3N7/c1-8-10(6-24(23-8)13(2,3)7-18)21-12-20-5-9(14(15,16)17)11(19-4)22-12/h5-6H,1-4H3,(H2,19,20,21,22) | Synonyms: | 2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile | Definition date: | 2021-01-14 | Last modified: | 2021-07-02 | Release date: | 2021-07-07 | Identifier: | 2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile |
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![TW2 TW2](https://data.pdbj.org/pdbjplus/data/cc/svg/TW2.svg) | TW2 | Name: | 4-amino-6-{[(2-fluorophenyl)methyl]amino}-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | Formula: | C15 H13 F N6 | SMILES: | Cn1c(NCc2ccccc2F)c(C#N)c3c(N)ncnc13 | InChi: | InChI=1S/C15H13FN6/c1-22-14(19-7-9-4-2-3-5-11(9)16)10(6-17)12-13(18)20-8-21-15(12)22/h2-5,8,19H,7H2,1H3,(H2,18,20,21) | Synonyms: | 4-azanyl-6-[(2-fluorophenyl)methylamino]-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | Definition date: | 2021-01-14 | Last modified: | 2021-07-02 | Release date: | 2021-07-07 | Identifier: | 4-azanyl-6-[(2-fluorophenyl)methylamino]-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
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![XU4 XU4](https://data.pdbj.org/pdbjplus/data/cc/svg/XU4.svg) | XU4 | Name: | N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[(1S)-1-phenylethoxy]carbonyl}-L-leucinamide | Formula: | C22 H33 N3 O5 | SMILES: | C2(C(CC(CO)NC(C(CC(C)C)NC(OC(C)c1ccccc1)=O)=O)CCN2)=O | InChi: | InChI=1S/C22H33N3O5/c1-14(2)11-19(25-22(29)30-15(3)16-7-5-4-6-8-16)21(28)24-18(13-26)12-17-9-10-23-20(17)27/h4-8,14-15,17-19,26H,9-13H2,1-3H3,(H,23,27)(H,24,28)(H,25,29)/t15-,17-,18-,19-/m0/s1 | Definition date: | 2021-01-13 | Last modified: | 2021-07-02 | Release date: | 2021-07-07 | Identifier: | N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[(1S)-1-phenylethoxy]carbonyl}-L-leucinamide |
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![TWH TWH](https://data.pdbj.org/pdbjplus/data/cc/svg/TWH.svg) | TWH | Name: | 4-amino-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | Formula: | C13 H16 N6 | SMILES: | C[CH]1CCCN1c2n(C)c3ncnc(N)c3c2C#N | InChi: | InChI=1S/C13H16N6/c1-8-4-3-5-19(8)13-9(6-14)10-11(15)16-7-17-12(10)18(13)2/h7-8H,3-5H2,1-2H3,(H2,15,16,17)/t8-/m1/s1 | Synonyms: | 4-azanyl-7-methyl-6-[(2~{R})-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile | Definition date: | 2021-01-14 | Last modified: | 2021-07-02 | Release date: | 2021-07-07 | Identifier: | 4-azanyl-7-methyl-6-[(2~{R})-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
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![TWK TWK](https://data.pdbj.org/pdbjplus/data/cc/svg/TWK.svg) | TWK | Name: | 4-amino-6-(2,3-difluorophenyl)-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | Formula: | C14 H9 F2 N5 | SMILES: | Cn1c2ncnc(N)c2c(C#N)c1c3cccc(F)c3F | InChi: | InChI=1S/C14H9F2N5/c1-21-12(7-3-2-4-9(15)11(7)16)8(5-17)10-13(18)19-6-20-14(10)21/h2-4,6H,1H3,(H2,18,19,20) | Synonyms: | 4-azanyl-6-[2,3-bis(fluoranyl)phenyl]-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | Definition date: | 2021-01-14 | Last modified: | 2021-07-02 | Release date: | 2021-07-07 | Identifier: | 4-azanyl-6-[2,3-bis(fluoranyl)phenyl]-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
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![XV4 XV4](https://data.pdbj.org/pdbjplus/data/cc/svg/XV4.svg) | XV4 | Name: | N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | Formula: | C23 H32 N4 O5 | SMILES: | C3(C(CC(NC(C(CC(C)C)NC(c1nc2c(c1)c(OC)ccc2)=O)=O)CO)CCN3)=O | InChi: | InChI=1S/C23H32N4O5/c1-13(2)9-18(22(30)25-15(12-28)10-14-7-8-24-21(14)29)27-23(31)19-11-16-17(26-19)5-4-6-20(16)32-3/h4-6,11,13-15,18,26,28H,7-10,12H2,1-3H3,(H,24,29)(H,25,30)(H,27,31)/t14-,15-,18-/m0/s1 | Definition date: | 2021-01-14 | Last modified: | 2021-07-02 | Release date: | 2021-07-07 | Identifier: | N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide |
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![T4Q T4Q](https://data.pdbj.org/pdbjplus/data/cc/svg/T4Q.svg) | T4Q | Name: | 2-(2-cyanophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)benzamide | Formula: | C17 H16 N2 O S2 | SMILES: | SCCCNC(=O)c1ccccc1Sc2ccccc2C#N | InChi: | InChI=1S/C17H16N2OS2/c18-12-13-6-1-3-8-15(13)22-16-9-4-2-7-14(16)17(20)19-10-5-11-21/h1-4,6-9,21H,5,10-11H2,(H,19,20) | Definition date: | 2020-12-15 | Last modified: | 2021-07-02 | Release date: | 2021-07-07 | Identifier: | 2-(2-cyanophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)benzamide |
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![T4W T4W](https://data.pdbj.org/pdbjplus/data/cc/svg/T4W.svg) | T4W | Name: | 2-(2-cyanophenyl)sulfanyl-~{N}-(2-sulfanylethyl)benzamide | Formula: | C16 H14 N2 O S2 | SMILES: | SCCNC(=O)c1ccccc1Sc2ccccc2C#N | InChi: | InChI=1S/C16H14N2OS2/c17-11-12-5-1-3-7-14(12)21-15-8-4-2-6-13(15)16(19)18-9-10-20/h1-8,20H,9-10H2,(H,18,19) | Definition date: | 2020-12-15 | Last modified: | 2021-07-02 | Release date: | 2021-07-07 | Identifier: | 2-(2-cyanophenyl)sulfanyl-~{N}-(2-sulfanylethyl)benzamide |
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![T5N T5N](https://data.pdbj.org/pdbjplus/data/cc/svg/T5N.svg) | T5N | Name: | 2-(4-bromanylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide | Formula: | C12 H16 Br N O2 S | SMILES: | CC(C)(Oc1ccc(Br)cc1)C(=O)NCCS | InChi: | InChI=1S/C12H16BrNO2S/c1-12(2,11(15)14-7-8-17)16-10-5-3-9(13)4-6-10/h3-6,17H,7-8H2,1-2H3,(H,14,15) | Definition date: | 2020-12-15 | Last modified: | 2021-07-02 | Release date: | 2021-07-07 | Identifier: | 2-(4-bromanylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide |
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![T5Q T5Q](https://data.pdbj.org/pdbjplus/data/cc/svg/T5Q.svg) | T5Q | Name: | 2-[3,5-bis(fluoranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide | Formula: | C12 H15 F2 N O2 S | SMILES: | CC(C)(Oc1cc(F)cc(F)c1)C(=O)NCCS | InChi: | InChI=1S/C12H15F2NO2S/c1-12(2,11(16)15-3-4-18)17-10-6-8(13)5-9(14)7-10/h5-7,18H,3-4H2,1-2H3,(H,15,16) | Definition date: | 2020-12-15 | Last modified: | 2021-07-02 | Release date: | 2021-07-07 | Identifier: | 2-[3,5-bis(fluoranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide |
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![T5T T5T](https://data.pdbj.org/pdbjplus/data/cc/svg/T5T.svg) | T5T | Name: | 2-(4-fluoranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide | Formula: | C12 H16 F N O2 S | SMILES: | CC(C)(Oc1ccc(F)cc1)C(=O)NCCS | InChi: | InChI=1S/C12H16FNO2S/c1-12(2,11(15)14-7-8-17)16-10-5-3-9(13)4-6-10/h3-6,17H,7-8H2,1-2H3,(H,14,15) | Definition date: | 2020-12-15 | Last modified: | 2021-07-02 | Release date: | 2021-07-07 | Identifier: | 2-(4-fluoranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide |
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![YUS YUS](https://data.pdbj.org/pdbjplus/data/cc/svg/YUS.svg) | YUS | Name: | N'-[(E)-(3,4-dimethoxyphenyl)methylidene]-2-(naphthalen-1-yl)acetohydrazide | Formula: | C21 H20 N2 O3 | SMILES: | COc1cc(ccc1OC)C=NNC(=O)Cc1cccc2ccccc21 | InChi: | InChI=1S/C21H20N2O3/c1-25-19-11-10-15(12-20(19)26-2)14-22-23-21(24)13-17-8-5-7-16-6-3-4-9-18(16)17/h3-12,14H,13H2,1-2H3,(H,23,24)/b22-14+ | Definition date: | 2021-04-01 | Last modified: | 2021-07-02 | Release date: | 2021-07-07 | Identifier: | N'-[(E)-(3,4-dimethoxyphenyl)methylidene]-2-(naphthalen-1-yl)acetohydrazide |
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![T5W T5W](https://data.pdbj.org/pdbjplus/data/cc/svg/T5W.svg) | T5W | Name: | 2-[3,5-bis(chloranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide | Formula: | C12 H15 Cl2 N O2 S | SMILES: | CC(C)(Oc1cc(Cl)cc(Cl)c1)C(=O)NCCS | InChi: | InChI=1S/C12H15Cl2NO2S/c1-12(2,11(16)15-3-4-18)17-10-6-8(13)5-9(14)7-10/h5-7,18H,3-4H2,1-2H3,(H,15,16) | Definition date: | 2020-12-15 | Last modified: | 2021-07-02 | Release date: | 2021-07-07 | Identifier: | 2-[3,5-bis(chloranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide |
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![YUV YUV](https://data.pdbj.org/pdbjplus/data/cc/svg/YUV.svg) | YUV | Name: | (25R)-14beta,17beta-spirost-5-en-3beta-ol | Formula: | C27 H42 O3 | SMILES: | CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC23C)OC21CCC(C)CO2 | InChi: | InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1 | Definition date: | 2021-04-01 | Last modified: | 2021-07-02 | Release date: | 2021-07-07 | Identifier: | (25R)-14beta,17beta-spirost-5-en-3beta-ol |
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![T5Z T5Z](https://data.pdbj.org/pdbjplus/data/cc/svg/T5Z.svg) | T5Z | Name: | 2-(4-bromanyl-3-methoxy-phenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide | Formula: | C13 H18 Br N O3 S | SMILES: | COc1cc(OC(C)(C)C(=O)NCCS)ccc1Br | InChi: | InChI=1S/C13H18BrNO3S/c1-13(2,12(16)15-6-7-19)18-9-4-5-10(14)11(8-9)17-3/h4-5,8,19H,6-7H2,1-3H3,(H,15,16) | Definition date: | 2020-12-15 | Last modified: | 2021-07-02 | Release date: | 2021-07-07 | Identifier: | 2-(4-bromanyl-3-methoxy-phenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide |
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![YUY YUY](https://data.pdbj.org/pdbjplus/data/cc/svg/YUY.svg) | YUY | Name: | (2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside | Formula: | C44 H72 O15 | SMILES: | OC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(OC1CO)OCC(CO)CCOC1CC2=CCC3C(CCC4(C)C5C(CC34)OC3(CCC(C)CO3)C5C)C2(C)CC1 | InChi: | InChI=1S/C44H72O15/c1-22-7-13-44(55-20-22)23(2)33-30(59-44)16-29-27-6-5-25-15-26(8-11-42(25,3)28(27)9-12-43(29,33)4)53-14-10-24(17-45)21-54-40-38(52)36(50)39(32(19-47)57-40)58-41-37(51)35(49)34(48)31(18-46)56-41/h5,22-24,26-41,45-52H,6-21H2,1-4H3/t22-,23+,24-,26+,27-,28+,29+,30+,31-,32-,33+,34-,35+,36-,37-,38-,39-,40-,41-,42+,43+,44-/m1/s1 | Definition date: | 2021-04-01 | Last modified: | 2021-07-02 | Release date: | 2021-07-07 | Identifier: | (2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside |
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![T6H T6H](https://data.pdbj.org/pdbjplus/data/cc/svg/T6H.svg) | T6H | Name: | 2-methyl-2-phenoxy-~{N}-(2-sulfanylethyl)propanamide | Formula: | C12 H17 N O2 S | SMILES: | CC(C)(Oc1ccccc1)C(=O)NCCS | InChi: | InChI=1S/C12H17NO2S/c1-12(2,11(14)13-8-9-16)15-10-6-4-3-5-7-10/h3-7,16H,8-9H2,1-2H3,(H,13,14) | Definition date: | 2020-12-15 | Last modified: | 2021-07-02 | Release date: | 2021-07-07 | Identifier: | 2-methyl-2-phenoxy-~{N}-(2-sulfanylethyl)propanamide |
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