General Information of the Compound
Compound ID
CP0443349
Compound Name
4-[(4-fluorophenyl)methoxy]-1-[2-(hydroxymethyl)-3-methylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one
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Structure
Formula
C21H18FN3O3
Molecular Weight
379.391
Canonical SMILES
Cc1c(CO)nc2ccc(cn12)-n1ccc(OCc2ccc(F)cc2)cc1=O
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InChI
InChI=1S/C21H18FN3O3/c1-14-19(12-26)23-20-7-6-17(11-25(14)20)24-9-8-18(10-21(24)27)28-13-15-2-4-16(22)5-3-15/h2-11,26H,12-13H2,1H3
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InChIKey
ZEXADDNSAAAMIR-UHFFFAOYSA-N
Physicochemical Property
logP
3.00402
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
68.76
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 89691111
ChEMBL ID
CHEMBL3770539
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