General Information of the Compound
Compound ID
CP0443355
Compound Name
6-[4-[(4-fluorophenyl)methoxy]-2-oxopyridin-1-yl]-N,N,3-trimethylimidazo[1,2-a]pyridine-2-carboxamide
    Show/Hide
Structure
Formula
C23H21FN4O3
Molecular Weight
420.444
Canonical SMILES
CN(C)C(=O)c1nc2ccc(cn2c1C)-n1ccc(OCc2ccc(F)cc2)cc1=O
    Show/Hide
InChI
InChI=1S/C23H21FN4O3/c1-15-22(23(30)26(2)3)25-20-9-8-18(13-28(15)20)27-11-10-19(12-21(27)29)31-14-16-4-6-17(24)7-5-16/h4-13H,14H2,1-3H3
    Show/Hide
InChIKey
HHTBYGXDFXXNAF-UHFFFAOYSA-N
Physicochemical Property
logP
3.21352
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
68.84
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 89702341
ChEMBL ID
CHEMBL3770850
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