General Information of the Compound
Compound ID
CP0369244
Compound Name
[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol
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Structure
Formula
C20H13ClF2N2O
Molecular Weight
370.786
Canonical SMILES
OCc1c(F)ccc(c1F)-c1ccc2nc(cn2c1)-c1ccc(Cl)cc1
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InChI
InChI=1S/C20H13ClF2N2O/c21-14-4-1-12(2-5-14)18-10-25-9-13(3-8-19(25)24-18)15-6-7-17(22)16(11-26)20(15)23/h1-10,26H,11H2
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InChIKey
LAORQXHNMGSLSK-UHFFFAOYSA-N
Physicochemical Property
logP
5.0922
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
37.53
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 44231857
SID: 85251134
ChEMBL ID
CHEMBL4475176
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 = 38 nM
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