General Information of the Compound
Compound ID
CP0414880
Compound Name
1-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-4-phenylmethoxypyridin-2-one
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Structure
Formula
C21H19N3O2
Molecular Weight
345.402
Canonical SMILES
Cc1nc2ccc(cn2c1C)-n1ccc(OCc2ccccc2)cc1=O
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InChI
InChI=1S/C21H19N3O2/c1-15-16(2)24-13-18(8-9-20(24)22-15)23-11-10-19(12-21(23)25)26-14-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3
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InChIKey
RJKZNJBGSQNFNP-UHFFFAOYSA-N
Physicochemical Property
logP
3.68104
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
48.53
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 89690600
ChEMBL ID
CHEMBL3769585
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: PT01027, Melanin-concentrating hormone receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 78 nM
   TI
   LI
   LO
   TS
Protein ID: PT01388, Melanin-concentrating hormone receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 80 nM
   TI
   LI
   LO
   TS