General Information of the Compound
Compound ID
CP0443348
Compound Name
4-[(4-fluorophenyl)methoxy]-1-[2-(methoxymethyl)-3-methylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one
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Structure
Formula
C22H20FN3O3
Molecular Weight
393.418
Canonical SMILES
COCc1nc2ccc(cn2c1C)-n1ccc(OCc2ccc(F)cc2)cc1=O
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InChI
InChI=1S/C22H20FN3O3/c1-15-20(14-28-2)24-21-8-7-18(12-26(15)21)25-10-9-19(11-22(25)27)29-13-16-3-5-17(23)6-4-16/h3-12H,13-14H2,1-2H3
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InChIKey
PGMOJCYFFDPZRD-UHFFFAOYSA-N
Physicochemical Property
logP
3.65812
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
57.76
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: 89690293
ChEMBL ID
CHEMBL3770348
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