General Information of the Compound
Compound ID
CP0386236
Compound Name
1-(2-cyclopropyl-3-methylindazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one
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Structure
Formula
C23H20FN3O2
Molecular Weight
389.43
Canonical SMILES
Cc1n(nc2ccc(cc12)-n1ccc(OCc2ccc(F)cc2)cc1=O)C1CC1
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InChI
InChI=1S/C23H20FN3O2/c1-15-21-12-19(8-9-22(21)25-27(15)18-6-7-18)26-11-10-20(13-23(26)28)29-14-16-2-4-17(24)5-3-16/h2-5,8-13,18H,6-7,14H2,1H3
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InChIKey
WFEMDTGQEARDBR-UHFFFAOYSA-N
Physicochemical Property
logP
4.54862
Rotatable Bonds
5
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: 117816804
ChEMBL ID
CHEMBL3578243
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 = 35 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 = 43 nM
   TI
   LI
   LO
   TS