General Information of the Compound
| Compound ID |
CP0387068
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| Compound Name |
3-[[2-[[3-fluoro-4-(trifluoromethyl)benzoyl]amino]benzoyl]amino]benzoic acid
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| Structure |
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| Formula |
C22H14F4N2O4
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| Molecular Weight |
446.356
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| Canonical SMILES |
OC(=O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(c(F)c2)C(F)(F)F)c1
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| InChI |
InChI=1S/C22H14F4N2O4/c23-17-11-12(8-9-16(17)22(24,25)26)19(29)28-18-7-2-1-6-15(18)20(30)27-14-5-3-4-13(10-14)21(31)32/h1-11H,(H,27,30)(H,28,29)(H,31,32)
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| InChIKey |
NLRPQUKGZAIETL-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