General Information of the Compound
| Compound ID |
CP0427644
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| Compound Name |
5-chloro-2-(3-(2-(4-methoxybenzoyl)-4-methyl-1H-pyrrol-1-yl)prop-1-enyl)-N-(methylsulfonyl)benzamide
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| Structure |
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| Formula |
C24H23ClN2O5S
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| Molecular Weight |
486.977
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| Canonical SMILES |
COc1ccc(cc1)C(=O)c1cc(C)cn1C\C=C\c1ccc(Cl)cc1C(=O)NS(C)(=O)=O
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| InChI |
InChI=1S/C24H23ClN2O5S/c1-16-13-22(23(28)18-7-10-20(32-2)11-8-18)27(15-16)12-4-5-17-6-9-19(25)14-21(17)24(29)26-33(3,30)31/h4-11,13-15H,12H2,1-3H3,(H,26,29)/b5-4+
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| InChIKey |
JQXCBYDVKZBFFH-SNAWJCMRSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma