General Information of the Compound
Compound ID
CP0547975
Compound Name
4-[[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methyl]morpholine
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Structure
Formula
C24H22ClN3O
Molecular Weight
403.913
Canonical SMILES
Clc1ccc(cc1)-c1cn2cc(ccc2n1)-c1cccc(CN2CCOCC2)c1
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InChI
InChI=1S/C24H22ClN3O/c25-22-7-4-19(5-8-22)23-17-28-16-21(6-9-24(28)26-23)20-3-1-2-18(14-20)15-27-10-12-29-13-11-27/h1-9,14,16-17H,10-13,15H2
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InChIKey
VEYDXOOCZJBSDO-UHFFFAOYSA-N
Physicochemical Property
logP
5.1539
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
29.77
Hydrogen Bond Donor Count
0
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: 155551074
ChEMBL ID
CHEMBL4542143
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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   LI
   LO
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