General Information of the Compound
| Compound ID |
CP0404263
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| Compound Name |
4-[4-Methoxy-3-(4-trifluoromethyl-benzylcarbamoyl)-phenyl]-butyric acid
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| Structure |
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| Formula |
C20H20F3NO4
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| Molecular Weight |
395.377
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| Canonical SMILES |
COc1ccc(CCCC(O)=O)cc1C(=O)NCc1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C20H20F3NO4/c1-28-17-10-7-13(3-2-4-18(25)26)11-16(17)19(27)24-12-14-5-8-15(9-6-14)20(21,22)23/h5-11H,2-4,12H2,1H3,(H,24,27)(H,25,26)
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| InChIKey |
GDVKJUMHVJMEDN-UHFFFAOYSA-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