General Information of the Compound
Compound ID
CP0431976
Compound Name
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile
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Structure
Formula
C20H12ClN3
Molecular Weight
329.79
Canonical SMILES
Clc1ccc(cc1)-c1cn2cc(ccc2n1)-c1cccc(c1)C#N
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InChI
InChI=1S/C20H12ClN3/c21-18-7-4-15(5-8-18)19-13-24-12-17(6-9-20(24)23-19)16-3-1-2-14(10-16)11-22/h1-10,12-13H
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InChIKey
RDFXJBKDQCWRHY-UHFFFAOYSA-N
Physicochemical Property
logP
5.19338
Rotatable Bonds
2
Heavy Atom Count
24
Polar Areas
41.09
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 155553555
ChEMBL ID
CHEMBL4545931
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: PT05155, Nuclear receptor subfamily 4 group A member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 3000 nM
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   LI
   LO
   TS