General Information of the Compound
Compound ID
CP0399279
Compound Name
4-[(4-chlorophenyl)methoxy]-1-(3-methyl-2-propylindazol-5-yl)pyridin-2-one
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Structure
Formula
C23H22ClN3O2
Molecular Weight
407.901
Canonical SMILES
CCCn1nc2ccc(cc2c1C)-n1ccc(OCc2ccc(Cl)cc2)cc1=O
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InChI
InChI=1S/C23H22ClN3O2/c1-3-11-27-16(2)21-13-19(8-9-22(21)25-27)26-12-10-20(14-23(26)28)29-15-17-4-6-18(24)7-5-17/h4-10,12-14H,3,11,15H2,1-2H3
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InChIKey
STNZKQGKFPXQMF-UHFFFAOYSA-N
Physicochemical Property
logP
5.13802
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
49.05
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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: 117798688
ChEMBL ID
CHEMBL3794208
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 = 130 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 = 210 nM
   TI
   LI
   LO
   TS