General Information of the Compound
| Compound ID |
CP0398732
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| Compound Name |
3-[3-[[2-[[4-(trifluoromethyl)benzoyl]amino]benzoyl]amino]phenyl]propanoic acid
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| Structure |
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| Formula |
C24H19F3N2O4
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| Molecular Weight |
456.42
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| Canonical SMILES |
OC(=O)CCc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)C(F)(F)F)c1
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| InChI |
InChI=1S/C24H19F3N2O4/c25-24(26,27)17-11-9-16(10-12-17)22(32)29-20-7-2-1-6-19(20)23(33)28-18-5-3-4-15(14-18)8-13-21(30)31/h1-7,9-12,14H,8,13H2,(H,28,33)(H,29,32)(H,30,31)
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| InChIKey |
XDZNFDLKOADAIR-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: PT01286, Bile acid receptor
Protein ID: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma