General Information of the Compound
Compound ID
CP0522224
Compound Name
4-(4-Fluorophenoxy)-1-{4-[2-(piperidin-1-yl)ethoxy]phenyl}pyridin-2(1H)-one
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Structure
Formula
C24H25FN2O3
Molecular Weight
408.473
Canonical SMILES
Fc1ccc(Oc2ccn(-c3ccc(OCCN4CCCCC4)cc3)c(=O)c2)cc1
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InChI
InChI=1S/C24H25FN2O3/c25-19-4-8-22(9-5-19)30-23-12-15-27(24(28)18-23)20-6-10-21(11-7-20)29-17-16-26-13-2-1-3-14-26/h4-12,15,18H,1-3,13-14,16-17H2
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InChIKey
HOZLKBNZZMDTTK-UHFFFAOYSA-N
Physicochemical Property
logP
4.6336
Rotatable Bonds
7
Heavy Atom Count
30
Polar Areas
43.7
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
30

"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: 53317308
ChEMBL ID
CHEMBL1642481
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 > 1000 nM
   TI
   LI
   LO
   TS