General Information of the Compound
Compound ID
CP0407718
Compound Name
1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-3-[4-(trifluoromethoxy)phenoxy]pyridin-2-one
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Structure
Formula
C23H18F3N3O3
Molecular Weight
441.409
Canonical SMILES
Cc1c(nc2ccc(cn12)-n1cccc(Oc2ccc(OC(F)(F)F)cc2)c1=O)C1CC1
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InChI
InChI=1S/C23H18F3N3O3/c1-14-21(15-4-5-15)27-20-11-6-16(13-29(14)20)28-12-2-3-19(22(28)30)31-17-7-9-18(10-8-17)32-23(24,25)26/h2-3,6-13,15H,4-5H2,1H3
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InChIKey
HNLYYLZMISIJNO-UHFFFAOYSA-N
Physicochemical Property
logP
5.36192
Rotatable Bonds
5
Heavy Atom Count
32
Polar Areas
57.76
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
32

"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: 127025110
ChEMBL ID
CHEMBL3770776
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 = 240 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 = 270 nM
   TI
   LI
   LO
   TS