General Information of the Compound
Compound ID
CP0540409
Compound Name
[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-2-methylphenyl]methanol
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Structure
Formula
C21H17ClN2O
Molecular Weight
348.833
Canonical SMILES
Cc1c(CO)cccc1-c1ccc2nc(cn2c1)-c1ccc(Cl)cc1
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InChI
InChI=1S/C21H17ClN2O/c1-14-17(13-25)3-2-4-19(14)16-7-10-21-23-20(12-24(21)11-16)15-5-8-18(22)9-6-15/h2-12,25H,13H2,1H3
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InChIKey
VZLRCZDREWSVNK-UHFFFAOYSA-N
Physicochemical Property
logP
5.12242
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
37.53
Hydrogen Bond Donor Count
1
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: 44231982
SID: 85251260
ChEMBL ID
CHEMBL4521819
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 > 1000 nM
   TI
   LI
   LO
   TS