General Information of the Compound
Compound ID
CP0443347
Compound Name
1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-(pyrimidin-5-ylmethoxy)pyridin-2-one
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Structure
Formula
C21H19N5O2
Molecular Weight
373.416
Canonical SMILES
Cc1c(nc2ccc(cn12)-n1ccc(OCc2cncnc2)cc1=O)C1CC1
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InChI
InChI=1S/C21H19N5O2/c1-14-21(16-2-3-16)24-19-5-4-17(11-26(14)19)25-7-6-18(8-20(25)27)28-12-15-9-22-13-23-10-15/h4-11,13,16H,2-3,12H2,1H3
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InChIKey
KAIDMJVKSRKNRB-UHFFFAOYSA-N
Physicochemical Property
logP
3.04002
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
74.31
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Complexity
28

"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: 89690333
ChEMBL ID
CHEMBL3770975
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 > 1000 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 > 1000 nM
   TI
   LI
   LO
   TS