General Information of the Compound
Compound ID
CP0565750
Compound Name
1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[(4-propan-2-ylphenyl)methoxy]pyridin-2-one
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Structure
Formula
C26H27N3O2
Molecular Weight
413.521
Canonical SMILES
CC(C)c1ccc(COc2ccn(-c3ccc4nc(C5CC5)c(C)n4c3)c(=O)c2)cc1
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InChI
InChI=1S/C26H27N3O2/c1-17(2)20-6-4-19(5-7-20)16-31-23-12-13-28(25(30)14-23)22-10-11-24-27-26(21-8-9-21)18(3)29(24)15-22/h4-7,10-15,17,21H,8-9,16H2,1-3H3
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InChIKey
GDZWHMKDWTYIGC-UHFFFAOYSA-N
Physicochemical Property
logP
5.37342
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
48.53
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
31

"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: 89690239
ChEMBL ID
CHEMBL3769899
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: 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 = 240 nM
   TI
   LI
   LO
   TS
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 = 410 nM
   TI
   LI
   LO
   TS