General Information of the Compound
| Compound ID |
CP0000252
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| Compound Name |
3-(4-methoxy-3-((4-(trifluoromethyl)benzamido)methyl)phenyl)-2-methylpropanoic 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(CC(C)C(O)=O)cc1CNC(=O)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C20H20F3NO4/c1-12(19(26)27)9-13-3-8-17(28-2)15(10-13)11-24-18(25)14-4-6-16(7-5-14)20(21,22)23/h3-8,10,12H,9,11H2,1-2H3,(H,24,25)(H,26,27)
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| InChIKey |
PZTNQSXMMTZUAR-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: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma