General Information of the Compound
Compound ID
CP0570186
Compound Name
2-chloro-5-nitro-N-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzamide
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Structure
Formula
C20H13ClN4O3
Molecular Weight
392.802
Canonical SMILES
[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc1ccc2nc(cn2c1)-c1ccccc1
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InChI
InChI=1S/C20H13ClN4O3/c21-17-8-7-15(25(27)28)10-16(17)20(26)22-14-6-9-19-23-18(12-24(19)11-14)13-4-2-1-3-5-13/h1-12H,(H,22,26)
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InChIKey
OLNLDXSACNANEG-UHFFFAOYSA-N
Physicochemical Property
logP
4.8152
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
89.54
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 168290882
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
CL001062 RT112/84-FABP4 Homo sapiens (Human)  1
1
IC50 = 0.58 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 2.6 nM