General Information of the Compound
Compound ID
CP0534064
Compound Name
2-oxo-N,1-bis[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
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Structure
Formula
C24H17F6N3O2
Molecular Weight
493.407
Canonical SMILES
FC(F)(F)c1ccccc1CNC(=O)c1ccc2n(Cc3ccccc3C(F)(F)F)c(=O)[nH]c2c1
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InChI
InChI=1S/C24H17F6N3O2/c25-23(26,27)17-7-3-1-5-15(17)12-31-21(34)14-9-10-20-19(11-14)32-22(35)33(20)13-16-6-2-4-8-18(16)24(28,29)30/h1-11H,12-13H2,(H,31,34)(H,32,35)
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InChIKey
XHJBSXLZRKKXJS-UHFFFAOYSA-N
Physicochemical Property
logP
5.3455
Rotatable Bonds
5
Heavy Atom Count
35
Polar Areas
66.89
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
35

"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).

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PubChem ID
CID: 166633182
Map of Molecular Bioactivity Related to the Compound
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
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
EC50 = 3700 nM
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