General Information of the Compound
Compound ID
CP0431975
Compound Name
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N,N-diethylbenzamide
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Structure
Formula
C24H22ClN3O
Molecular Weight
403.913
Canonical SMILES
CCN(CC)C(=O)c1cccc(c1)-c1ccc2nc(cn2c1)-c1ccc(Cl)cc1
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InChI
InChI=1S/C24H22ClN3O/c1-3-27(4-2)24(29)19-7-5-6-18(14-19)20-10-13-23-26-22(16-28(23)15-20)17-8-11-21(25)12-9-17/h5-16H,3-4H2,1-2H3
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InChIKey
RWWPHABIRMUWPS-UHFFFAOYSA-N
Physicochemical Property
logP
5.8037
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
37.61
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
29

"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: 155532806
ChEMBL ID
CHEMBL4467468
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
   TI
   LI
   LO
   TS