General Information of the Compound
Compound ID
CP0443346
Compound Name
4-[(5-chloropyridin-2-yl)methoxy]-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one
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Structure
Formula
C22H19ClN4O2
Molecular Weight
406.873
Canonical SMILES
Cc1c(nc2ccc(cn12)-n1ccc(OCc2ccc(Cl)cn2)cc1=O)C1CC1
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InChI
InChI=1S/C22H19ClN4O2/c1-14-22(15-2-3-15)25-20-7-6-18(12-27(14)20)26-9-8-19(10-21(26)28)29-13-17-5-4-16(23)11-24-17/h4-12,15H,2-3,13H2,1H3
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InChIKey
NCFYEEMYLICQLF-UHFFFAOYSA-N
Physicochemical Property
logP
4.29842
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
61.42
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
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: 89690396
ChEMBL ID
CHEMBL3770396
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 = 19 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 = 24 nM
   TI
   LI
   LO
   TS