General Information of the Compound
Compound ID
CP0452309
Compound Name
6-[(4-chlorophenyl)methoxy]-3-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)pyrimidin-4-one
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Structure
Formula
C22H19ClN4O2
Molecular Weight
406.873
Canonical SMILES
Cc1c(nc2ccc(cn12)-n1cnc(OCc2ccc(Cl)cc2)cc1=O)C1CC1
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InChI
InChI=1S/C22H19ClN4O2/c1-14-22(16-4-5-16)25-19-9-8-18(11-26(14)19)27-13-24-20(10-21(27)28)29-12-15-2-6-17(23)7-3-15/h2-3,6-11,13,16H,4-5,12H2,1H3
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InChIKey
VZHNRUAJJOZQFL-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: 89691440
ChEMBL ID
CHEMBL3769460
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 = 140 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 = 150 nM
   TI
   LI
   LO
   TS