General Information of the Compound
Compound ID
CP0293159
Compound Name
N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[5-(trifluoromethyl)pyridin-2-yl]benzamide
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Structure
Formula
C24H19F3N4O
Molecular Weight
436.437
Canonical SMILES
Cc1c(nc2ccc(NC(=O)c3ccc(cc3)-c3ccc(cn3)C(F)(F)F)cn12)C1CC1
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InChI
InChI=1S/C24H19F3N4O/c1-14-22(16-4-5-16)30-21-11-9-19(13-31(14)21)29-23(32)17-6-2-15(3-7-17)20-10-8-18(12-28-20)24(25,26)27/h2-3,6-13,16H,4-5H2,1H3,(H,29,32)
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InChIKey
XYXWZHUJKCFOAH-UHFFFAOYSA-N
Physicochemical Property
logP
5.85322
Rotatable Bonds
4
Heavy Atom Count
32
Polar Areas
59.29
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 23120540
ChEMBL ID
CHEMBL561134
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: 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
Biochemical Assays
1 IC50 = 3.5 nM