General Information of the Compound
Compound ID
CP0566898
Compound Name
4-[(4-chlorophenyl)methoxy]-1-(1,3-dimethylindazol-5-yl)pyridin-2-one
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Structure
Formula
C21H18ClN3O2
Molecular Weight
379.847
Canonical SMILES
Cc1nn(C)c2ccc(cc12)-n1ccc(OCc2ccc(Cl)cc2)cc1=O
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InChI
InChI=1S/C21H18ClN3O2/c1-14-19-11-17(7-8-20(19)24(2)23-14)25-10-9-18(12-21(25)26)27-13-15-3-5-16(22)6-4-15/h3-12H,13H2,1-2H3
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InChIKey
GYUMQLBKRNQWOV-UHFFFAOYSA-N
Physicochemical Property
logP
4.26502
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
49.05
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 127028869
ChEMBL ID
CHEMBL3794501
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 = 99 nM
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