![OQE OQE](https://data.pdbj.org/pdbjplus/data/cc/svg/OQE.svg) | OQE | Name: | [2-[2-oxidanylidene-2-(2-phenylethylamino)ethoxy]phenyl]phosphonic acid | Formula: | C16 H18 N O5 P | SMILES: | O[P](O)(=O)c1ccccc1OCC(=O)NCCc2ccccc2 | InChi: | InChI=1S/C16H18NO5P/c18-16(17-11-10-13-6-2-1-3-7-13)12-22-14-8-4-5-9-15(14)23(19,20)21/h1-9H,10-12H2,(H,17,18)(H2,19,20,21) | Definition date: | 2020-03-27 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | [2-[2-oxidanylidene-2-(2-phenylethylamino)ethoxy]phenyl]phosphonic acid |
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![GKF GKF](https://data.pdbj.org/pdbjplus/data/cc/svg/GKF.svg) | GKF | Name: | 3-iodanyl-1~{H}-indazole-7-carbaldehyde | Formula: | C8 H5 I N2 O | SMILES: | Ic1n[nH]c2c(C=O)cccc12 | InChi: | InChI=1S/C8H5IN2O/c9-8-6-3-1-2-5(4-12)7(6)10-11-8/h1-4H,(H,10,11) | Definition date: | 2020-09-03 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | 3-iodanyl-1~{H}-indazole-7-carbaldehyde |
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![QSH QSH](https://data.pdbj.org/pdbjplus/data/cc/svg/QSH.svg) | QSH | Name: | 3,5-bis(bromanyl)-4-oxidanyl-benzoic acid | Formula: | C7 H4 Br2 O3 | SMILES: | OC(=O)c1cc(Br)c(O)c(Br)c1 | InChi: | InChI=1S/C7H4Br2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12) | Definition date: | 2020-07-31 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | 3,5-bis(bromanyl)-4-oxidanyl-benzoic acid |
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![QWQ QWQ](https://data.pdbj.org/pdbjplus/data/cc/svg/QWQ.svg) | QWQ | Name: | 4-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine | Formula: | C26 H30 N2 O3 | SMILES: | COc1cc(cc(OC)c1OC)c2cncc(c2C)c3ccc(CN4CCCC4)cc3 | InChi: | InChI=1S/C26H30N2O3/c1-18-22(20-9-7-19(8-10-20)17-28-11-5-6-12-28)15-27-16-23(18)21-13-24(29-2)26(31-4)25(14-21)30-3/h7-10,13-16H,5-6,11-12,17H2,1-4H3 | Definition date: | 2020-08-14 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | 4-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine |
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![Q6H Q6H](https://data.pdbj.org/pdbjplus/data/cc/svg/Q6H.svg) | Q6H | Name: | 5-fluoranyl-~{N}-(3-morpholin-4-ylcarbonylphenyl)-2-selanyl-benzamide | Formula: | C18 H17 F N2 O3 Se | SMILES: | Fc1ccc([SeH])c(c1)C(=O)Nc2cccc(c2)C(=O)N3CCOCC3 | InChi: | InChI=1S/C18H17FN2O3Se/c19-13-4-5-16(25)15(11-13)17(22)20-14-3-1-2-12(10-14)18(23)21-6-8-24-9-7-21/h1-5,10-11,25H,6-9H2,(H,20,22) | Definition date: | 2020-05-22 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | 5-fluoranyl-~{N}-(3-morpholin-4-ylcarbonylphenyl)-2-selanyl-benzamide |
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![Q7N Q7N](https://data.pdbj.org/pdbjplus/data/cc/svg/Q7N.svg) | Q7N | Name: | ~{N}-[(3-methoxyphenyl)methyl]-2-selanyl-benzamide | Formula: | C15 H15 N O2 Se | SMILES: | COc1cccc(CNC(=O)c2ccccc2[SeH])c1 | InChi: | InChI=1S/C15H15NO2Se/c1-18-12-6-4-5-11(9-12)10-16-15(17)13-7-2-3-8-14(13)19/h2-9,19H,10H2,1H3,(H,16,17) | Definition date: | 2020-05-26 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | ~{N}-[(3-methoxyphenyl)methyl]-2-selanyl-benzamide |
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![Q7T Q7T](https://data.pdbj.org/pdbjplus/data/cc/svg/Q7T.svg) | Q7T | Name: | ~{N}-(phenylmethyl)-2-selanyl-benzamide | Formula: | C14 H13 N O Se | SMILES: | [SeH]c1ccccc1C(=O)NCc2ccccc2 | InChi: | InChI=1S/C14H13NOSe/c16-14(12-8-4-5-9-13(12)17)15-10-11-6-2-1-3-7-11/h1-9,17H,10H2,(H,15,16) | Definition date: | 2020-05-26 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | ~{N}-(phenylmethyl)-2-selanyl-benzamide |
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![Q7W Q7W](https://data.pdbj.org/pdbjplus/data/cc/svg/Q7W.svg) | Q7W | Name: | ~{N}-[(3-chlorophenyl)methyl]-2-selanyl-benzamide | Formula: | C14 H12 Cl N O Se | SMILES: | Clc1cccc(CNC(=O)c2ccccc2[SeH])c1 | InChi: | InChI=1S/C14H12ClNOSe/c15-11-5-3-4-10(8-11)9-16-14(17)12-6-1-2-7-13(12)18/h1-8,18H,9H2,(H,16,17) | Definition date: | 2020-05-26 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | ~{N}-[(3-chlorophenyl)methyl]-2-selanyl-benzamide |
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![Q85 Q85](https://data.pdbj.org/pdbjplus/data/cc/svg/Q85.svg) | Q85 | Name: | ~{N}-[(4-methoxyphenyl)methyl]-2-selanyl-benzamide | Formula: | C15 H15 N O2 Se | SMILES: | COc1ccc(CNC(=O)c2ccccc2[SeH])cc1 | InChi: | InChI=1S/C15H15NO2Se/c1-18-12-8-6-11(7-9-12)10-16-15(17)13-4-2-3-5-14(13)19/h2-9,19H,10H2,1H3,(H,16,17) | Definition date: | 2020-05-26 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | ~{N}-[(4-methoxyphenyl)methyl]-2-selanyl-benzamide |
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![Q8E Q8E](https://data.pdbj.org/pdbjplus/data/cc/svg/Q8E.svg) | Q8E | Name: | ~{N}-[(6-methoxypyridin-3-yl)methyl]-2-selanyl-benzamide | Formula: | C14 H14 N2 O2 Se | SMILES: | COc1ccc(CNC(=O)c2ccccc2[SeH])cn1 | InChi: | InChI=1S/C14H14N2O2Se/c1-18-13-7-6-10(8-15-13)9-16-14(17)11-4-2-3-5-12(11)19/h2-8,19H,9H2,1H3,(H,16,17) | Definition date: | 2020-05-26 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | ~{N}-[(6-methoxypyridin-3-yl)methyl]-2-selanyl-benzamide |
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![Q8H Q8H](https://data.pdbj.org/pdbjplus/data/cc/svg/Q8H.svg) | Q8H | Name: | ~{N}-(pyridin-3-ylmethyl)-2-selanyl-benzamide | Formula: | C13 H12 N2 O Se | SMILES: | [SeH]c1ccccc1C(=O)NCc2cccnc2 | InChi: | InChI=1S/C13H12N2OSe/c16-13(11-5-1-2-6-12(11)17)15-9-10-4-3-7-14-8-10/h1-8,17H,9H2,(H,15,16) | Definition date: | 2020-05-26 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | ~{N}-(pyridin-3-ylmethyl)-2-selanyl-benzamide |
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![QAE QAE](https://data.pdbj.org/pdbjplus/data/cc/svg/QAE.svg) | QAE | Name: | 6-chloranyl-3-[(2-pentyl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one | Formula: | C17 H18 Cl N3 O S | SMILES: | CCCCCc1scc(CN2C=Nc3ccc(Cl)cc3C2=O)n1 | InChi: | InChI=1S/C17H18ClN3OS/c1-2-3-4-5-16-20-13(10-23-16)9-21-11-19-15-7-6-12(18)8-14(15)17(21)22/h6-8,10-11H,2-5,9H2,1H3 | Definition date: | 2020-05-29 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | 6-chloranyl-3-[(2-pentyl-1,3-thiazol-4-yl)methyl]quinazolin-4-one |
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![QDH QDH](https://data.pdbj.org/pdbjplus/data/cc/svg/QDH.svg) | QDH | Name: | [[(2~{R},3~{S},4~{R},5~{R})-5-[6-chloranyl-4-[[(1~{S})-1-(2-fluorophenyl)ethyl]amino]pyrazolo[3,4-b]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid | Formula: | C20 H24 Cl F N4 O9 P2 | SMILES: | C[CH](Nc1cc(Cl)nc2n(ncc12)[CH]3O[CH](CO[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]3O)c4ccccc4F | InChi: | InChI=1S/C20H24ClFN4O9P2/c1-10(11-4-2-3-5-13(11)22)24-14-6-16(21)25-19-12(14)7-23-26(19)20-18(28)17(27)15(35-20)8-34-37(32,33)9-36(29,30)31/h2-7,10,15,17-18,20,27-28H,8-9H2,1H3,(H,24,25)(H,32,33)(H2,29,30,31)/t10-,15+,17+,18+,20+/m0/s1 | Definition date: | 2020-06-08 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-[6-chloranyl-4-[[(1~{S})-1-(2-fluorophenyl)ethyl]amino]pyrazolo[3,4-b]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid |
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![QGE QGE](https://data.pdbj.org/pdbjplus/data/cc/svg/QGE.svg) | QGE | Name: | [3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate | Formula: | C18 H17 N O4 S | SMILES: | CCCc1cc2C(=O)C(=COc2cc1OC(C)=O)c3scc(C)n3 | InChi: | InChI=1S/C18H17NO4S/c1-4-5-12-6-13-16(7-15(12)23-11(3)20)22-8-14(17(13)21)18-19-10(2)9-24-18/h6-9H,4-5H2,1-3H3 | Definition date: | 2020-06-16 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | [3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate |
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![QGW QGW](https://data.pdbj.org/pdbjplus/data/cc/svg/QGW.svg) | QGW | Name: | [2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate | Formula: | C19 H19 N O4 S | SMILES: | CCCc1cc2C(=O)C(=C(C)Oc2cc1OC(C)=O)c3scc(C)n3 | InChi: | InChI=1S/C19H19NO4S/c1-5-6-13-7-14-16(8-15(13)24-12(4)21)23-11(3)17(18(14)22)19-20-10(2)9-25-19/h7-9H,5-6H2,1-4H3 | Definition date: | 2020-06-16 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | [2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate |
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![N1Q N1Q](https://data.pdbj.org/pdbjplus/data/cc/svg/N1Q.svg) | N1Q | Name: | 5-[2,3-bis(fluoranyl)phenyl]-~{N}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1~{H}-indazole-3-carboxamide | Formula: | C23 H26 F2 N4 O2 | SMILES: | COCCN1CCC(CC1)CNC(=O)c2n[nH]c3ccc(cc23)c4cccc(F)c4F | InChi: | InChI=1S/C23H26F2N4O2/c1-31-12-11-29-9-7-15(8-10-29)14-26-23(30)22-18-13-16(5-6-20(18)27-28-22)17-3-2-4-19(24)21(17)25/h2-6,13,15H,7-12,14H2,1H3,(H,26,30)(H,27,28) | Definition date: | 2019-11-06 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | 5-[2,3-bis(fluoranyl)phenyl]-~{N}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1~{H}-indazole-3-carboxamide |
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![FJO FJO](https://data.pdbj.org/pdbjplus/data/cc/svg/FJO.svg) | FJO | Name: | propane-1,1,1,3-tetrol | Formula: | C3 H8 O4 | SMILES: | OCCC(O)(O)O | InChi: | InChI=1S/C3H8O4/c4-2-1-3(5,6)7/h4-7H,1-2H2 | Definition date: | 2020-05-22 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | propane-1,1,1,3-tetrol |
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![PJK PJK](https://data.pdbj.org/pdbjplus/data/cc/svg/PJK.svg) | PJK | Name: | (3~{S})-1-[4-chloranyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid | Formula: | C12 H11 Cl F3 N O2 | SMILES: | OC(=O)[CH]1CCN(C1)c2ccc(Cl)c(c2)C(F)(F)F | InChi: | InChI=1S/C12H11ClF3NO2/c13-10-2-1-8(5-9(10)12(14,15)16)17-4-3-7(6-17)11(18)19/h1-2,5,7H,3-4,6H2,(H,18,19)/t7-/m0/s1 | Definition date: | 2020-04-22 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | (3~{S})-1-[4-chloranyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid |
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![LN4 LN4](https://data.pdbj.org/pdbjplus/data/cc/svg/LN4.svg) | LN4 | Name: | 1-[2-fluoranyl-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]urea | Formula: | C25 H21 F4 N7 O3 S | SMILES: | CN(c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1)c3ccnc(Nc4cccc(c4)[S](N)(=O)=O)n3 | InChi: | InChI=1S/C25H21F4N7O3S/c1-36(22-11-12-31-23(35-22)32-17-3-2-4-19(14-17)40(30,38)39)18-8-6-16(7-9-18)33-24(37)34-21-13-15(25(27,28)29)5-10-20(21)26/h2-14H,1H3,(H2,30,38,39)(H,31,32,35)(H2,33,34,37) | Definition date: | 2019-03-05 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | 1-[2-fluoranyl-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]urea |
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![SNZ SNZ](https://data.pdbj.org/pdbjplus/data/cc/svg/SNZ.svg) | SNZ | Name: | N-(3,4-dihydroxyphenyl)-N'-[2-(3,4-dihydroxyphenyl)ethyl]urea | Formula: | C15 H16 N2 O5 | SMILES: | N(c1cc(c(O)cc1)O)C(=O)NCCc2ccc(c(c2)O)O | InChi: | InChI=1S/C15H16N2O5/c18-11-3-1-9(7-13(11)20)5-6-16-15(22)17-10-2-4-12(19)14(21)8-10/h1-4,7-8,18-21H,5-6H2,(H2,16,17,22) | Definition date: | 2019-09-19 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | N-(3,4-dihydroxyphenyl)-N'-[2-(3,4-dihydroxyphenyl)ethyl]urea |
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![V7Y V7Y](https://data.pdbj.org/pdbjplus/data/cc/svg/V7Y.svg) | V7Y | Name: | 2-amino-N-[(1S)-1-{8-[(1-methyl-1H-pyrazol-4-yl)ethynyl]-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl}ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide | Formula: | C30 H24 N8 O2 | SMILES: | Cn1cc(cn1)C#Cc6cccc2c6C(=O)N(C(=C2)C(C)NC(=O)c4c3ncccn3nc4N)c5ccccc5 | InChi: | InChI=1S/C30H24N8O2/c1-19(34-29(39)26-27(31)35-37-15-7-14-32-28(26)37)24-16-22-9-6-8-21(13-12-20-17-33-36(2)18-20)25(22)30(40)38(24)23-10-4-3-5-11-23/h3-11,14-19H,1-2H3,(H2,31,35)(H,34,39)/t19-/m0/s1 | Definition date: | 2020-07-13 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | 2-amino-N-[(1S)-1-{8-[(1-methyl-1H-pyrazol-4-yl)ethynyl]-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl}ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide |
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![V81 V81](https://data.pdbj.org/pdbjplus/data/cc/svg/V81.svg) | V81 | Name: | 5-[2-amino-3-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[(1S)-1-cyclopropylethyl]-7-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one | Formula: | C24 H22 F3 N7 O | SMILES: | C(F)(F)(c1cc(cc3c1C(=O)N(C(C2CC2)C)C3)c4nc6n(cc4)nc(c6c5cn(C)nc5)N)F | InChi: | InChI=1S/C24H22F3N7O/c1-12(13-3-4-13)33-11-15-7-14(8-17(24(25,26)27)19(15)23(33)35)18-5-6-34-22(30-18)20(21(28)31-34)16-9-29-32(2)10-16/h5-10,12-13H,3-4,11H2,1-2H3,(H2,28,31)/t12-/m0/s1 | Definition date: | 2020-07-13 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | 5-[2-amino-3-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[(1S)-1-cyclopropylethyl]-7-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one |
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![V87 V87](https://data.pdbj.org/pdbjplus/data/cc/svg/V87.svg) | V87 | Name: | N-(4-phenylbutyl)formamide | Formula: | C11 H15 N O | SMILES: | C(NCCCCc1ccccc1)=O | InChi: | InChI=1S/C11H15NO/c13-10-12-9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,12,13) | Definition date: | 2020-07-14 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | N-(4-phenylbutyl)formamide |
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![VK7 VK7](https://data.pdbj.org/pdbjplus/data/cc/svg/VK7.svg) | VK7 | Name: | trans-4-[(3aR,9bR)-8-cyano-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid | Formula: | C30 H26 F8 N2 O5 S | SMILES: | c2(c(C(C(F)(F)F)(C(F)(F)F)F)cc1CCC4C(c1c2)(S(c3ccc(cc3)F)(=O)=O)CCN4C(=O)C5CCC(CC5)C(=O)O)C#N | InChi: | InChI=1S/C30H26F8N2O5S/c31-20-6-8-21(9-7-20)46(44,45)27-11-12-40(25(41)16-1-3-17(4-2-16)26(42)43)24(27)10-5-18-13-23(19(15-39)14-22(18)27)28(32,29(33,34)35)30(36,37)38/h6-9,13-14,16-17,24H,1-5,10-12H2,(H,42,43)/t16-,17-,24-,27-/m1/s1 | Definition date: | 2020-08-19 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | trans-4-[(3aR,9bR)-8-cyano-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid |
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![P7K P7K](https://data.pdbj.org/pdbjplus/data/cc/svg/P7K.svg) | P7K | Name: | (3~{R})-8-methoxy-3-methyl-3-oxidanyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione | Formula: | C20 H16 O5 | SMILES: | COc1cccc2C(=O)c3c(ccc4C[C](C)(O)CC(=O)c34)C(=O)c12 | InChi: | InChI=1S/C20H16O5/c1-20(24)8-10-6-7-12-17(15(10)13(21)9-20)19(23)11-4-3-5-14(25-2)16(11)18(12)22/h3-7,24H,8-9H2,1-2H3/t20-/m1/s1 | Definition date: | 2020-04-16 | Last modified: | 2020-09-11 | Release date: | 2020-09-16 | Identifier: | (3~{R})-8-methoxy-3-methyl-3-oxidanyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione |
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