General Information of the Compound
Compound ID
CP0541066
Compound Name
[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]-cyclopentylmethanol
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Structure
Formula
C25H23ClN2O
Molecular Weight
402.925
Canonical SMILES
OC(C1CCCC1)c1cccc(c1)-c1ccc2nc(cn2c1)-c1ccc(Cl)cc1
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InChI
InChI=1S/C25H23ClN2O/c26-22-11-8-17(9-12-22)23-16-28-15-21(10-13-24(28)27-23)19-6-3-7-20(14-19)25(29)18-4-1-2-5-18/h3,6-16,18,25,29H,1-2,4-5H2
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InChIKey
LJPGFWXYBPREBX-UHFFFAOYSA-N
Physicochemical Property
logP
6.5453
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
37.53
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 67046278
ChEMBL ID
CHEMBL4468421
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 > 3000 nM
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