General Information of the Compound
Compound ID
CP0548136
Compound Name
2-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]propan-2-ol
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Structure
Formula
C22H17ClF2N2O
Molecular Weight
398.84
Canonical SMILES
CC(C)(O)c1c(F)ccc(-c2ccc3nc(cn3c2)-c2ccc(Cl)cc2)c1F
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InChI
InChI=1S/C22H17ClF2N2O/c1-22(2,28)20-17(24)9-8-16(21(20)25)14-5-10-19-26-18(12-27(19)11-14)13-3-6-15(23)7-4-13/h3-12,28H,1-2H3
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InChIKey
DIIUIWHAMAYJCT-UHFFFAOYSA-N
Physicochemical Property
logP
5.8273
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
37.53
Hydrogen Bond Donor Count
1
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: 67265023
ChEMBL ID
CHEMBL4441108
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