General Information of the Compound
| Compound ID |
CP0495017
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| Compound Name |
4-[4-[[4-(trifluoromethyl)phenyl]methyl]benzoyl]benzoic acid
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| Structure |
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| Formula |
C22H15F3O3
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| Molecular Weight |
384.353
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| Canonical SMILES |
OC(=O)c1ccc(cc1)C(=O)c1ccc(Cc2ccc(cc2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C22H15F3O3/c23-22(24,25)19-11-3-15(4-12-19)13-14-1-5-16(6-2-14)20(26)17-7-9-18(10-8-17)21(27)28/h1-12H,13H2,(H,27,28)
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| InChIKey |
DMKAZTDVPJQRAJ-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