General Information of the Compound
Compound ID
CP0249320
Compound Name
4'-[(2-Propyl-1H-benzo[d]imidazol-1-yl)methyl]biphenyl-2-carboxylic acid
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Structure
Formula
C24H22N2O2
Molecular Weight
370.452
Canonical SMILES
CCCc1nc2ccccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
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InChI
InChI=1S/C24H22N2O2/c1-2-7-23-25-21-10-5-6-11-22(21)26(23)16-17-12-14-18(15-13-17)19-8-3-4-9-20(19)24(27)28/h3-6,8-15H,2,7,16H2,1H3,(H,27,28)
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InChIKey
KZUDZUZMYZXWMG-UHFFFAOYSA-N
Physicochemical Property
logP
5.4023
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
55.12
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
28

"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: 15069295
SID: 84975521
ChEMBL ID
CHEMBL1214744
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 = 1900 nM
   TI
   LI
   LO
   TS
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  3
1
EC50 = 4170 nM
   TI
   LI
   LO
   TS
2
EC50 = 6440 nM
   TI
   LI
   LO
   TS
3
EC50 = 7220 nM
   TI
   LI
   LO
   TS