General Information of the Compound
Compound ID
CP0911042
Compound Name
6-(8-fluoro-2-naphthyl)-3-[2-methyl-1-(2-oxoimidazolidin-1-yl)propyl]-1H-pyridin-2-one
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Structure
Formula
C22H22FN3O2
Molecular Weight
379.435
Canonical SMILES
CC(C)C(c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O)N1CCNC1=O
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InChI
InChI=1S/C22H22FN3O2/c1-13(2)20(26-11-10-24-22(26)28)16-8-9-19(25-21(16)27)15-7-6-14-4-3-5-18(23)17(14)12-15/h3-9,12-13,20H,10-11H2,1-2H3,(H,24,28)(H,25,27)
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InChIKey
RFIAFDZWJKORAH-UHFFFAOYSA-N
Physicochemical Property
logP
4.0565
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
65.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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: 137477851
ChEMBL ID
CHEMBL4874814
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: PT01367, Prostaglandin E2 receptor EP3 subtype
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
IC50 = 28 nM
   TI
   LI
   LO
   TS
2
Ki = 9.1 nM
   TI
   LI
   LO
   TS