General Information of the Compound
Compound ID
CP0476327
Compound Name
2-(4-chlorophenyl)-6-[3-(methoxymethyl)phenyl]imidazo[1,2-a]pyridine
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Structure
Formula
C21H17ClN2O
Molecular Weight
348.833
Canonical SMILES
COCc1cccc(c1)-c1ccc2nc(cn2c1)-c1ccc(Cl)cc1
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InChI
InChI=1S/C21H17ClN2O/c1-25-14-15-3-2-4-17(11-15)18-7-10-21-23-20(13-24(21)12-18)16-5-8-19(22)9-6-16/h2-13H,14H2,1H3
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InChIKey
XGVNOLKMMHQLNQ-UHFFFAOYSA-N
Physicochemical Property
logP
5.4681
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
26.53
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 67046442
ChEMBL ID
CHEMBL4465741
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