General Information of the Compound
Compound ID
CP0926294
Compound Name
2-[6-(8-fluoro-2-naphthyl)-2-oxo-1H-pyridin-3-yl]-N-isopropyl-3-methyl-butanamide
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Structure
Formula
C23H25FN2O2
Molecular Weight
380.463
Canonical SMILES
CC(C)NC(=O)C(c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O)C(C)C
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InChI
InChI=1S/C23H25FN2O2/c1-13(2)21(23(28)25-14(3)4)17-10-11-20(26-22(17)27)16-9-8-15-6-5-7-19(24)18(15)12-16/h5-14,21H,1-4H3,(H,25,28)(H,26,27)
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InChIKey
MEWSPTWFCUUDLI-UHFFFAOYSA-N
Physicochemical Property
logP
4.5984
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
61.96
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: 137478210
ChEMBL ID
CHEMBL4871125
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 = 1.5 nM
   TI
   LI
   LO
   TS
2
Ki = 1.1 nM
   TI
   LI
   LO
   TS