General Information of the Compound
Compound ID
CP0407728
Compound Name
4-[(5-chlorothiophen-3-yl)methoxy]-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one
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Structure
Formula
C21H18ClN3O2S
Molecular Weight
411.914
Canonical SMILES
Cc1c(nc2ccc(cn12)-n1ccc(OCc2csc(Cl)c2)cc1=O)C1CC1
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InChI
InChI=1S/C21H18ClN3O2S/c1-13-21(15-2-3-15)23-19-5-4-16(10-25(13)19)24-7-6-17(9-20(24)26)27-11-14-8-18(22)28-12-14/h4-10,12,15H,2-3,11H2,1H3
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InChIKey
QNVFWMGJWHJVJJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.96492
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
48.53
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
28

"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: 89690574
ChEMBL ID
CHEMBL3771182
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 = 7.5 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)  2
1
IC50 = 7.7 nM
   TI
   LI
   LO
   TS
2
IC50 = 19 nM
   TI
   LI
   LO
   TS