General Information of the Compound
Compound ID
CP0086722
Compound Name
N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-(5-methylsulfonylpyridin-2-yl)benzamide
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Structure
Formula
C24H22N4O3S
Molecular Weight
446.532
Canonical SMILES
Cc1c(nc2ccc(NC(=O)c3ccc(cc3)-c3ccc(cn3)S(C)(=O)=O)cn12)C1CC1
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InChI
InChI=1S/C24H22N4O3S/c1-15-23(17-5-6-17)27-22-12-9-19(14-28(15)22)26-24(29)18-7-3-16(4-8-18)21-11-10-20(13-25-21)32(2,30)31/h3-4,7-14,17H,5-6H2,1-2H3,(H,26,29)
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InChIKey
LZGABMVNKCHJEA-UHFFFAOYSA-N
Physicochemical Property
logP
4.23792
Rotatable Bonds
5
Heavy Atom Count
32
Polar Areas
93.43
Hydrogen Bond Donor Count
1
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: 45268465
ChEMBL ID
CHEMBL563836
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 = 94 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 48 nM