General Information of the Compound
Compound ID
CP0302867
Compound Name
4-(5-chloropyridin-2-yl)-N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)benzamide
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Structure
Formula
C23H19ClN4O
Molecular Weight
402.885
Canonical SMILES
Cc1c(nc2ccc(NC(=O)c3ccc(cc3)-c3ccc(Cl)cn3)cn12)C1CC1
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InChI
InChI=1S/C23H19ClN4O/c1-14-22(16-4-5-16)27-21-11-9-19(13-28(14)21)26-23(29)17-6-2-15(3-7-17)20-10-8-18(24)12-25-20/h2-3,6-13,16H,4-5H2,1H3,(H,26,29)
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InChIKey
VFNRUOWKNHQHFU-UHFFFAOYSA-N
Physicochemical Property
logP
5.48782
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
59.29
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 45267576
ChEMBL ID
CHEMBL564286
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 = 100 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2.2 nM