General Information of the Compound
Compound ID
CP0398828
Compound Name
4'-[(2-Propyl-1H-naphth[2,3-d]imidazol-1-yl)methyl]-biphenyl-2-carboxylic acid
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Structure
Formula
C28H24N2O2
Molecular Weight
420.512
Canonical SMILES
CCCc1nc2cc3ccccc3cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
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InChI
InChI=1S/C28H24N2O2/c1-2-7-27-29-25-16-21-8-3-4-9-22(21)17-26(25)30(27)18-19-12-14-20(15-13-19)23-10-5-6-11-24(23)28(31)32/h3-6,8-17H,2,7,18H2,1H3,(H,31,32)
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InChIKey
FBEQJIXUAGEQMA-UHFFFAOYSA-N
Physicochemical Property
logP
6.5555
Rotatable Bonds
6
Heavy Atom Count
32
Polar Areas
55.12
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
32

"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: 15069396
SID: 99433752
ChEMBL ID
CHEMBL1214888
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 = 260 nM
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