General Information of the Compound
Compound ID
CP0559940
Compound Name
1-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]hexan-1-ol
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Structure
Formula
C25H25ClN2O
Molecular Weight
404.941
Canonical SMILES
CCCCCC(O)c1cccc(c1)-c1ccc2nc(cn2c1)-c1ccc(Cl)cc1
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InChI
InChI=1S/C25H25ClN2O/c1-2-3-4-8-24(29)20-7-5-6-19(15-20)21-11-14-25-27-23(17-28(25)16-21)18-9-12-22(26)13-10-18/h5-7,9-17,24,29H,2-4,8H2,1H3
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InChIKey
REWFYBUVJAZDQT-UHFFFAOYSA-N
Physicochemical Property
logP
6.9354
Rotatable Bonds
7
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: 155552765
ChEMBL ID
CHEMBL4545262
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
   TI
   LI
   LO
   TS