General Information of the Compound
Compound ID
CP0373583
Compound Name
4'-[(5-(Hydroxy(phenyl)methyl)-2-propyl-1H-benzo[d]imidazol-1-yl)methyl]biphenyl-2-carboxylic acid
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Structure
Formula
C31H28N2O3
Molecular Weight
476.576
Canonical SMILES
CCCc1nc2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(O)c1ccccc1
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InChI
InChI=1S/C31H28N2O3/c1-2-8-29-32-27-19-24(30(34)23-9-4-3-5-10-23)17-18-28(27)33(29)20-21-13-15-22(16-14-21)25-11-6-7-12-26(25)31(35)36/h3-7,9-19,30,34H,2,8,20H2,1H3,(H,35,36)
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InChIKey
HVWYKEFPHHQLMD-UHFFFAOYSA-N
Physicochemical Property
logP
6.484
Rotatable Bonds
8
Heavy Atom Count
36
Polar Areas
75.35
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
36

"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: 49864025
ChEMBL ID
CHEMBL1214886
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 2900 nM
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