General Information of the Compound
Compound ID
CP0541068
Compound Name
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylbenzamide
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Structure
Formula
C21H16ClN3O
Molecular Weight
361.832
Canonical SMILES
CNC(=O)c1cccc(c1)-c1ccc2nc(cn2c1)-c1ccc(Cl)cc1
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InChI
InChI=1S/C21H16ClN3O/c1-23-21(26)16-4-2-3-15(11-16)17-7-10-20-24-19(13-25(20)12-17)14-5-8-18(22)9-6-14/h2-13H,1H3,(H,23,26)
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InChIKey
QVGOFQSRONWZFN-UHFFFAOYSA-N
Physicochemical Property
logP
4.6813
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
46.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 155524576
ChEMBL ID
CHEMBL4455501
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 = 87 nM
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