![30Y 30Y](https://data.pdbj.org/pdbjplus/data/cc/svg/30Y.svg) | 30Y | Name: | (2R)-3-[(2-chlorophenyl)amino]-2-cyano-3-thioxo-N-[3-(trifluoromethyl)phenyl]propanamide | Formula: | C17 H11 Cl F3 N3 O S | SMILES: | Clc2ccccc2NC(=S)C(C#N)C(=O)Nc1cc(ccc1)C(F)(F)F | InChi: | InChI=1S/C17H11ClF3N3OS/c18-13-6-1-2-7-14(13)24-16(26)12(9-22)15(25)23-11-5-3-4-10(8-11)17(19,20)21/h1-8,12H,(H,23,25)(H,24,26)/t12-/m1/s1 | Definition date: | 2014-05-16 | Last modified: | 2024-05-17 | Release date: | 2024-05-22 | Identifier: | (2R)-3-[(2-chlorophenyl)amino]-2-cyano-3-thioxo-N-[3-(trifluoromethyl)phenyl]propanamide |
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![A1H4A A1H4A](https://data.pdbj.org/pdbjplus/data/cc/svg/A1H4A.svg) | A1H4A | Name: | 8-[4-methyl-3-(trifluoromethyl)phenyl]-2-[[(7S)-7-(2-morpholin-4-ylethylcarbamoyl)-4-(phenylsulfonyl)-1,4-diazepan-1-yl]carbonyl]imidazo[1,2-a]pyridine-6-carboxylic acid | Formula: | C35 H37 F3 N6 O7 S | SMILES: | Cc1ccc(cc1C(F)(F)F)c2cc(cn3cc(nc23)C(=O)N4CCN(CC[CH]4C(=O)NCCN5CCOCC5)[S](=O)(=O)c6ccccc6)C(O)=O | InChi: | InChI=1S/C35H37F3N6O7S/c1-23-7-8-24(20-28(23)35(36,37)38)27-19-25(34(47)48)21-42-22-29(40-31(27)42)33(46)44-14-13-43(52(49,50)26-5-3-2-4-6-26)11-9-30(44)32(45)39-10-12-41-15-17-51-18-16-41/h2-8,19-22,30H,9-18H2,1H3,(H,39,45)(H,47,48)/t30-/m0/s1 | Synonyms: | LIPID FRAGMENT | Definition date: | 2024-02-13 | Last modified: | 2024-05-17 | Release date: | 2024-05-22 | Identifier: | 8-[4-methyl-3-(trifluoromethyl)phenyl]-2-[[(7~{S})-7-(2-morpholin-4-ylethylcarbamoyl)-4-(phenylsulfonyl)-1,4-diazepan-1-yl]carbonyl]imidazo[1,2-a]pyridine-6-carboxylic acid |
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![A1ADO A1ADO](https://data.pdbj.org/pdbjplus/data/cc/svg/A1ADO.svg) | A1ADO | Name: | (4R)-5-fluoro-L-leucine | Formula: | C6 H12 F N O2 | SMILES: | FCC(C)CC(N)C(=O)O | InChi: | InChI=1S/C6H12FNO2/c1-4(3-7)2-5(8)6(9)10/h4-5H,2-3,8H2,1H3,(H,9,10)/t4-,5+/m1/s1 | Definition date: | 2024-01-23 | Last modified: | 2024-05-17 | Release date: | 2024-05-22 | Identifier: | (4R)-5-fluoro-L-leucine |
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![A1H58 A1H58](https://data.pdbj.org/pdbjplus/data/cc/svg/A1H58.svg) | A1H58 | Name: | azanyl-chloranyl-(2-methylpyridin-1-ium-1-yl)platinum | Formula: | C6 H9 Cl N2 Pt | SMILES: | Cc1cccc[n+]1[Pt](N)Cl | InChi: | InChI=1S/C6H7N.ClH.H2N.Pt/c1-6-4-2-3-5-7-6 | Definition date: | 2024-03-14 | Last modified: | 2024-05-17 | Release date: | 2024-05-22 | Identifier: | azanyl-chloranyl-(2-methylpyridin-1-ium-1-yl)platinum |
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![A1H8H A1H8H](https://data.pdbj.org/pdbjplus/data/cc/svg/A1H8H.svg) | A1H8H | Name: | 1-[2,4-bis(fluoranyl)phenyl]-2-(3,4-dihydro-1,2,4-triazol-2-yl)ethanone | Formula: | C10 H9 F2 N3 O | SMILES: | Fc1ccc(C(=O)CN2CNC=N2)c(F)c1 | InChi: | InChI=1S/C10H9F2N3O/c11-7-1-2-8(9(12)3-7)10(16)4-15-6-13-5-14-15/h1-3,5H,4,6H2,(H,13,14) | Definition date: | 2024-04-16 | Last modified: | 2024-05-17 | Release date: | 2024-05-22 | Identifier: | 1-[2,4-bis(fluoranyl)phenyl]-2-(3,4-dihydro-1,2,4-triazol-2-yl)ethanone |
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![A1LVB A1LVB](https://data.pdbj.org/pdbjplus/data/cc/svg/A1LVB.svg) | A1LVB | Name: | (2~{R},3~{S})-3-[[(2~{S})-2-(4-chlorophenyl)-2-fluoranyl-ethanoyl]amino]-3-[3-(2-cyano-2-methyl-propoxy)-4-methyl-phenyl]-2-methyl-propanoic acid | Formula: | C24 H26 Cl F N2 O4 | SMILES: | C[CH]([CH](NC(=O)[CH](F)c1ccc(Cl)cc1)c2ccc(C)c(OCC(C)(C)C#N)c2)C(O)=O | InChi: | InChI=1S/C24H26ClFN2O4/c1-14-5-6-17(11-19(14)32-13-24(3,4)12-27)21(15(2)23(30)31)28-22(29)20(26)16-7-9-18(25)10-8-16/h5-11,15,20-21H,13H2,1-4H3,(H,28,29)(H,30,31) | Definition date: | 2023-12-19 | Last modified: | 2024-05-17 | Release date: | 2024-05-22 | Identifier: | (2~{R},3~{S})-3-[[(2~{S})-2-(4-chlorophenyl)-2-fluoranyl-ethanoyl]amino]-3-[3-(2-cyano-2-methyl-propoxy)-4-methyl-phenyl]-2-methyl-propanoic acid |
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![A1LVC A1LVC](https://data.pdbj.org/pdbjplus/data/cc/svg/A1LVC.svg) | A1LVC | Name: | (2~{R},3~{S})-3-[[(2~{S})-2-[4-[(3-ethoxypyridin-2-yl)methyl]phenyl]-2-fluoranyl-ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid | Formula: | C27 H29 F N2 O4 | SMILES: | CCOc1cccnc1Cc2ccc(cc2)[CH](F)C(=O)N[CH]([CH](C)C(O)=O)c3ccc(C)cc3 | InChi: | InChI=1S/C27H29FN2O4/c1-4-34-23-6-5-15-29-22(23)16-19-9-13-20(14-10-19)24(28)26(31)30-25(18(3)27(32)33)21-11-7-17(2)8-12-21/h5-15,18,24-25H,4,16H2,1-3H3,(H,30,31)(H,32,33) | Definition date: | 2023-12-19 | Last modified: | 2024-05-17 | Release date: | 2024-05-22 | Identifier: | (2~{R},3~{S})-3-[[(2~{S})-2-[4-[(3-ethoxypyridin-2-yl)methyl]phenyl]-2-fluoranyl-ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid |
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![A1LYU A1LYU](https://data.pdbj.org/pdbjplus/data/cc/svg/A1LYU.svg) | A1LYU | Name: | 4-methyl-8-[(S)-oxidanyl(phenyl)methyl]-9-phenyl-furo[2,3-h]chromen-2-one | Formula: | C25 H18 O4 | SMILES: | CC1=CC(=O)Oc2c1ccc3oc([CH](O)c4ccccc4)c(c5ccccc5)c23 | InChi: | InChI=1S/C25H18O4/c1-15-14-20(26)29-24-18(15)12-13-19-22(24)21(16-8-4-2-5-9-16)25(28-19)23(27)17-10-6-3-7-11-17/h2-14,23,27H,1H3/t23-/m0/s1 | Definition date: | 2024-03-05 | Last modified: | 2024-05-17 | Release date: | 2024-05-22 | Identifier: | 4-methyl-8-[(~{S})-oxidanyl(phenyl)methyl]-9-phenyl-furo[2,3-h]chromen-2-one |
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![A1LZP A1LZP](https://data.pdbj.org/pdbjplus/data/cc/svg/A1LZP.svg) | A1LZP | Name: | Trans-Geranyl Bacteriopheophytin B | Formula: | C55 H72 N4 O6 | SMILES: | COC(=O)[CH]1C(=O)c2c(C)c3[nH]c2c1c4nc(cc5[nH]c(cc6nc(c3)C(=CC)[CH]6C)c(C(C)=O)c5C)[CH](C)[CH]4CCC(=O)OCC=C(C)CCC[CH](C)CCC=C(C)CCCC(C)C | InChi: | InChI=1S/C55H72N4O6/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3/h13,19,25,27-30,32,34-35,40,51,57,59H,14-18,20-24,26H2,1-12H3/b31-19+,33-25-,39-13+,41-29-,42-27-,43-27-,44-28-,45-28-,46-29-,52-50-/t32-,34?,35?,40?,51-/m1/s1 | Definition date: | 2024-03-27 | Last modified: | 2024-05-17 | Release date: | 2024-05-22 |
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![A1LZQ A1LZQ](https://data.pdbj.org/pdbjplus/data/cc/svg/A1LZQ.svg) | A1LZQ | Name: | Trans-Geranyl 8-vinyl-bacteriochlorophyll B | Formula: | C55 H70 Mg N4 O6 | SMILES: | COC(=O)[CH]1C(=O)C2=C(C)C3=CC4=NC(=Cc5n6[Mg][N]3C2=C1C7=NC(=Cc6c(C)c5C(C)=O)[CH](C)[CH]7CCC(=O)OCC=C(C)CCCC(C)CCC=C(C)CCCC(C)C)[CH](C)[CH]4C=C | InChi: | InChI=1S/C55H71N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3 | Definition date: | 2024-03-27 | Last modified: | 2024-05-17 | Release date: | 2024-05-22 |
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![A1LZU A1LZU](https://data.pdbj.org/pdbjplus/data/cc/svg/A1LZU.svg) | A1LZU | Name: | [2,6-di(propan-2-yl)phenoxy]methyl dihydrogen phosphate | Formula: | C13 H21 O5 P | SMILES: | CC(C)c1cccc(C(C)C)c1OCO[P](O)(O)=O | InChi: | InChI=1S/C13H21O5P/c1-9(2)11-6-5-7-12(10(3)4)13(11)17-8-18-19(14,15)16/h5-7,9-10H,8H2,1-4H3,(H2,14,15,16) | Definition date: | 2024-03-29 | Last modified: | 2024-05-17 | Release date: | 2024-05-22 | Identifier: | [2,6-di(propan-2-yl)phenoxy]methyl dihydrogen phosphate |
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![VAI VAI](https://data.pdbj.org/pdbjplus/data/cc/svg/VAI.svg) | VAI | Name: | (2S)-2-amino-3-methylbutane-1,1-diol | Formula: | C5 H13 N O2 | SMILES: | OC(O)C(N)C(C)C | InChi: | InChI=1S/C5H13NO2/c1-3(2)4(6)5(7)8/h3-5,7-8H,6H2,1-2H3/t4-/m0/s1 | Definition date: | 2011-02-01 | Last modified: | 2024-05-14 | Identifier: | (2S)-2-amino-3-methylbutane-1,1-diol |
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![A1H17 A1H17](https://data.pdbj.org/pdbjplus/data/cc/svg/A1H17.svg) | A1H17 | Name: | 5-[[3,4-bis(chloranyl)-1~{H}-indol-7-yl]sulfamoyl]-~{N},~{N},3-trimethyl-furan-2-carboxamide;ethane | Formula: | C16 H15 Cl2 N3 O4 S | SMILES: | CN(C)C(=O)c1oc(cc1C)[S](=O)(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23 | InChi: | InChI=1S/C16H15Cl2N3O4S/c1-8-6-12(25-15(8)16(22)21(2)3)26(23,24)20-11-5-4-9(17)13-10(18)7-19-14(11)13/h4-7,19-20H,1-3H3 | Definition date: | 2024-01-15 | Last modified: | 2024-05-14 | Release date: | 2024-04-03 | Identifier: | 5-[[3,4-bis(chloranyl)-1~{H}-indol-7-yl]sulfamoyl]-~{N},~{N},3-trimethyl-furan-2-carboxamide |
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![YLX YLX](https://data.pdbj.org/pdbjplus/data/cc/svg/YLX.svg) | YLX | Name: | Buspirone | Formula: | C21 H31 N5 O2 | SMILES: | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | InChi: | InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2 | Synonyms: | Buspirone | Definition date: | 2023-02-09 | Last modified: | 2024-05-10 | Release date: | 2024-05-15 | Identifier: | 8-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}-8-azaspiro[4.5]decane-7,9-dione |
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![U6X U6X](https://data.pdbj.org/pdbjplus/data/cc/svg/U6X.svg) | U6X | Name: | Levosulpiride | Formula: | C15 H23 N3 O4 S | SMILES: | CCN1CCC[CH]1CNC(=O)c2cc(ccc2OC)[S](N)(=O)=O | InChi: | InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)/t11-/m0/s1 | Synonyms: | ~{N}-[[(2~{S})-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-sulfamoyl-benzamide | Definition date: | 2023-05-19 | Last modified: | 2024-05-10 | Release date: | 2024-05-15 | Identifier: | ~{N}-[[(2~{S})-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-sulfamoyl-benzamide |
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![WSO WSO](https://data.pdbj.org/pdbjplus/data/cc/svg/WSO.svg) | WSO | Name: | (1P)-N-(5-tert-butyl-2-{[(2S)-pentan-2-yl]oxy}phenyl)-1-(2-methoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide | Formula: | C27 H36 N4 O3 | SMILES: | CC(C)(C)c1cc(NC(=O)c2nnn(c3cc(C)ccc3OC)c2C)c(OC(C)CCC)cc1 | InChi: | InChI=1S/C27H36N4O3/c1-9-10-18(3)34-23-14-12-20(27(5,6)7)16-21(23)28-26(32)25-19(4)31(30-29-25)22-15-17(2)11-13-24(22)33-8/h11-16,18H,9-10H2,1-8H3,(H,28,32)/t18-/m0/s1 | Definition date: | 2023-05-17 | Last modified: | 2024-05-10 | Release date: | 2024-05-15 | Identifier: | (1P)-N-(5-tert-butyl-2-{[(2S)-pentan-2-yl]oxy}phenyl)-1-(2-methoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide |
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![WSX WSX](https://data.pdbj.org/pdbjplus/data/cc/svg/WSX.svg) | WSX | Name: | (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide | Formula: | C28 H38 N4 O4 | SMILES: | CC(C)(C)c1cc(NC(=O)c2nnn(c3cc(ccc3OC)OC)c2C)c(OC(CC)CCC)cc1 | InChi: | InChI=1S/C28H38N4O4/c1-9-11-20(10-2)36-24-14-12-19(28(4,5)6)16-22(24)29-27(33)26-18(3)32(31-30-26)23-17-21(34-7)13-15-25(23)35-8/h12-17,20H,9-11H2,1-8H3,(H,29,33)/t20-/m0/s1 | Definition date: | 2023-05-17 | Last modified: | 2024-05-10 | Release date: | 2024-05-15 | Identifier: | (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide |
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![WT1 WT1](https://data.pdbj.org/pdbjplus/data/cc/svg/WT1.svg) | WT1 | Name: | (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-5-methyl-1-(2,4,5-trimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide | Formula: | C29 H40 N4 O5 | SMILES: | CC(C)(C)c1cc(NC(=O)c2nnn(c3cc(OC)c(cc3OC)OC)c2C)c(OC(CC)CCC)cc1 | InChi: | InChI=1S/C29H40N4O5/c1-10-12-20(11-2)38-23-14-13-19(29(4,5)6)15-21(23)30-28(34)27-18(3)33(32-31-27)22-16-25(36-8)26(37-9)17-24(22)35-7/h13-17,20H,10-12H2,1-9H3,(H,30,34)/t20-/m0/s1 | Definition date: | 2023-05-17 | Last modified: | 2024-05-10 | Release date: | 2024-05-15 | Identifier: | (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-5-methyl-1-(2,4,5-trimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide |
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![Y5I Y5I](https://data.pdbj.org/pdbjplus/data/cc/svg/Y5I.svg) | Y5I | Name: | 3-[2-fluoranyl-4-[3-[2-fluoranyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)phenoxy]propoxy]phenyl]propanoic acid | Formula: | C21 H20 F2 N2 O4 S | SMILES: | Cc1sc(nn1)c2ccc(OCCCOc3ccc(CCC(O)=O)c(F)c3)c(F)c2 | InChi: | InChI=1S/C21H20F2N2O4S/c1-13-24-25-21(30-13)15-4-7-19(18(23)11-15)29-10-2-9-28-16-6-3-14(17(22)12-16)5-8-20(26)27/h3-4,6-7,11-12H,2,5,8-10H2,1H3,(H,26,27) | Definition date: | 2023-06-12 | Last modified: | 2024-05-10 | Release date: | 2024-05-15 | Identifier: | 3-[2-fluoranyl-4-[3-[2-fluoranyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)phenoxy]propoxy]phenyl]propanoic acid |
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![WU2 WU2](https://data.pdbj.org/pdbjplus/data/cc/svg/WU2.svg) | WU2 | Name: | (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,4-dimethoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide | Formula: | C29 H40 N4 O4 | SMILES: | CC(C)(C)c1cc(NC(=O)c2nnn(c3cc(C)c(cc3OC)OC)c2C)c(OC(CC)CCC)cc1 | InChi: | InChI=1S/C29H40N4O4/c1-10-12-21(11-2)37-24-14-13-20(29(5,6)7)16-22(24)30-28(34)27-19(4)33(32-31-27)23-15-18(3)25(35-8)17-26(23)36-9/h13-17,21H,10-12H2,1-9H3,(H,30,34)/t21-/m0/s1 | Definition date: | 2023-05-18 | Last modified: | 2024-05-10 | Release date: | 2024-05-15 | Identifier: | (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,4-dimethoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide |
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![WU6 WU6](https://data.pdbj.org/pdbjplus/data/cc/svg/WU6.svg) | WU6 | Name: | methyl 3-{[(1P)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carbonyl]amino}-4-{[(3S)-hexan-3-yl]oxy}benzoate | Formula: | C26 H32 N4 O6 | SMILES: | O=C(OC)c1cc(NC(=O)c2nnn(c3cc(ccc3OC)OC)c2C)c(OC(CC)CCC)cc1 | InChi: | InChI=1S/C26H32N4O6/c1-7-9-18(8-2)36-22-12-10-17(26(32)35-6)14-20(22)27-25(31)24-16(3)30(29-28-24)21-15-19(33-4)11-13-23(21)34-5/h10-15,18H,7-9H2,1-6H3,(H,27,31)/t18-/m0/s1 | Definition date: | 2023-05-18 | Last modified: | 2024-05-10 | Release date: | 2024-05-15 | Identifier: | methyl 3-{[(1P)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carbonyl]amino}-4-{[(3S)-hexan-3-yl]oxy}benzoate |
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![WV2 WV2](https://data.pdbj.org/pdbjplus/data/cc/svg/WV2.svg) | WV2 | Name: | mitapivat | Formula: | C24 H26 N4 O3 S | SMILES: | O=S(=O)(Nc1ccc(cc1)C(=O)N1CCN(CC2CC2)CC1)c1cccc2cccnc21 | InChi: | InChI=1S/C24H26N4O3S/c29-24(28-15-13-27(14-16-28)17-18-6-7-18)20-8-10-21(11-9-20)26-32(30,31)22-5-1-3-19-4-2-12-25-23(19)22/h1-5,8-12,18,26H,6-7,13-17H2 | Synonyms: | N-{4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl}quinoline-8-sulfonamide | Definition date: | 2023-05-19 | Last modified: | 2024-05-10 | Release date: | 2024-05-15 | Identifier: | N-{4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl}quinoline-8-sulfonamide |
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![WXC WXC](https://data.pdbj.org/pdbjplus/data/cc/svg/WXC.svg) | WXC | Name: | 2-azanyl-7,8-dihydro-6~{H}-quinazolin-5-one | Formula: | C8 H9 N3 O | SMILES: | Nc1ncc2C(=O)CCCc2n1 | InChi: | InChI=1S/C8H9N3O/c9-8-10-4-5-6(11-8)2-1-3-7(5)12/h4H,1-3H2,(H2,9,10,11) | Definition date: | 2023-05-22 | Last modified: | 2024-05-10 | Release date: | 2024-05-15 | Identifier: | 2-azanyl-7,8-dihydro-6~{H}-quinazolin-5-one |
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![WGH WGH](https://data.pdbj.org/pdbjplus/data/cc/svg/WGH.svg) | WGH | Name: | [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-4-iodanyl-1-benzofuran-3-yl)methanone | Formula: | C17 H11 I3 O3 | SMILES: | CCc1oc2cccc(I)c2c1C(=O)c3cc(I)c(O)c(I)c3 | InChi: | InChI=1S/C17H11I3O3/c1-2-12-15(14-9(18)4-3-5-13(14)23-12)16(21)8-6-10(19)17(22)11(20)7-8/h3-7,22H,2H2,1H3 | Definition date: | 2023-10-03 | Last modified: | 2024-05-10 | Release date: | 2024-05-15 | Identifier: | [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-4-iodanyl-1-benzofuran-3-yl)methanone |
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![WGJ WGJ](https://data.pdbj.org/pdbjplus/data/cc/svg/WGJ.svg) | WGJ | Name: | [4,7-bis(chloranyl)-2-ethyl-1-benzofuran-3-yl]-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]methanone | Formula: | C17 H10 Cl2 I2 O3 | SMILES: | CCc1oc2c(Cl)ccc(Cl)c2c1C(=O)c3cc(I)c(O)c(I)c3 | InChi: | InChI=1S/C17H10Cl2I2O3/c1-2-12-14(13-8(18)3-4-9(19)17(13)24-12)15(22)7-5-10(20)16(23)11(21)6-7/h3-6,23H,2H2,1H3 | Definition date: | 2023-10-03 | Last modified: | 2024-05-10 | Release date: | 2024-05-15 | Identifier: | [4,7-bis(chloranyl)-2-ethyl-1-benzofuran-3-yl]-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]methanone |
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