General Information of the Compound
Compound ID
CP0476328
Compound Name
2-(4-chlorophenyl)-6-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine
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Structure
Formula
C24H22ClN3
Molecular Weight
387.914
Canonical SMILES
Clc1ccc(cc1)-c1cn2cc(ccc2n1)-c1cccc(CN2CCCC2)c1
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InChI
InChI=1S/C24H22ClN3/c25-22-9-6-19(7-10-22)23-17-28-16-21(8-11-24(28)26-23)20-5-3-4-18(14-20)15-27-12-1-2-13-27/h3-11,14,16-17H,1-2,12-13,15H2
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InChIKey
YJEPEQMIOFEAEV-UHFFFAOYSA-N
Physicochemical Property
logP
5.9175
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
20.54
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
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: 155540265
ChEMBL ID
CHEMBL4516195
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