General Information of the Compound
Compound ID
CP0238190
Compound Name
[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol
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Structure
Formula
C20H15ClN2O
Molecular Weight
334.806
Canonical SMILES
OCc1cccc(c1)-c1ccc2nc(cn2c1)-c1ccc(Cl)cc1
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InChI
InChI=1S/C20H15ClN2O/c21-18-7-4-15(5-8-18)19-12-23-11-17(6-9-20(23)22-19)16-3-1-2-14(10-16)13-24/h1-12,24H,13H2
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InChIKey
IHUPABWARJLUMA-UHFFFAOYSA-N
Physicochemical Property
logP
4.814
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
37.53
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 24856034
SID: 50085290
ChEMBL ID
CHEMBL4576867
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: PT06794, Nuclear receptor subfamily 4 group A member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000020 Neuro-2a Mus musculus (Mouse)  1
1
EC50 = 1 nM
   TI
   LI
   LO
   TS
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 = 45 nM
   TI
   LI
   LO
   TS