General Information of the Compound
Compound ID
CP0545779
Compound Name
4-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]oxan-4-ol
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Structure
Formula
C24H21ClN2O2
Molecular Weight
404.897
Canonical SMILES
OC1(CCOCC1)c1cccc(c1)-c1ccc2nc(cn2c1)-c1ccc(Cl)cc1
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InChI
InChI=1S/C24H21ClN2O2/c25-21-7-4-17(5-8-21)22-16-27-15-19(6-9-23(27)26-22)18-2-1-3-20(14-18)24(28)10-12-29-13-11-24/h1-9,14-16,28H,10-13H2
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InChIKey
WSMNBULTJKOYFD-UHFFFAOYSA-N
Physicochemical Property
logP
5.3197
Rotatable Bonds
3
Heavy Atom Count
29
Polar Areas
46.76
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 155514632
ChEMBL ID
CHEMBL4440984
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