General Information of the Compound
Compound ID
CP0505228
Compound Name
1-[2-(cyclopropanecarbonyl)-3-methylimidazo[1,2-a]pyridin-6-yl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one
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Structure
Formula
C24H20FN3O3
Molecular Weight
417.44
Canonical SMILES
Cc1c(nc2ccc(cn12)-n1ccc(OCc2ccc(F)cc2)cc1=O)C(=O)C1CC1
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InChI
InChI=1S/C24H20FN3O3/c1-15-23(24(30)17-4-5-17)26-21-9-8-19(13-28(15)21)27-11-10-20(12-22(27)29)31-14-16-2-6-18(25)7-3-16/h2-3,6-13,17H,4-5,14H2,1H3
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InChIKey
BXXXYZIOUUHSOK-UHFFFAOYSA-N
Physicochemical Property
logP
4.10442
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
65.6
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
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: 89702382
ChEMBL ID
CHEMBL3769816
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