General Information of the Compound
Compound ID
CP0911036
Compound Name
3-[6-(8-fluoro-2-naphthyl)-2-oxo-1H-pyridin-3-yl]-N-isopropyl-4-methyl-pentanamide
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Structure
Formula
C24H27FN2O2
Molecular Weight
394.49
Canonical SMILES
CC(C)NC(=O)CC(c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O)C(C)C
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InChI
InChI=1S/C24H27FN2O2/c1-14(2)19(13-23(28)26-15(3)4)18-10-11-22(27-24(18)29)17-9-8-16-6-5-7-21(25)20(16)12-17/h5-12,14-15,19H,13H2,1-4H3,(H,26,28)(H,27,29)
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InChIKey
BGARCLJBHYNGIT-UHFFFAOYSA-N
Physicochemical Property
logP
4.9885
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
61.96
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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: 137478217
ChEMBL ID
CHEMBL4868434
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 = 15 nM
   TI
   LI
   LO
   TS
2
Ki = 5.8 nM
   TI
   LI
   LO
   TS