General Information of the Compound
Compound ID
CP0922698
Compound Name
N-(2-(dimethylamino)ethyl)-2-(6-(8-fluoronaphthalen-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)-3-methylbutanamide
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Structure
Formula
C24H28FN3O2
Molecular Weight
409.505
Canonical SMILES
CC(C)C(C(=O)NCCN(C)C)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
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InChI
InChI=1S/C24H28FN3O2/c1-15(2)22(24(30)26-12-13-28(3)4)18-10-11-21(27-23(18)29)17-9-8-16-6-5-7-20(25)19(16)14-17/h5-11,14-15,22H,12-13H2,1-4H3,(H,26,30)(H,27,29)
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InChIKey
ZNTWSPAREKPGSB-UHFFFAOYSA-N
Physicochemical Property
logP
3.7516
Rotatable Bonds
7
Heavy Atom Count
30
Polar Areas
65.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 137478289
ChEMBL ID
CHEMBL4861530
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 = 445 nM
   TI
   LI
   LO
   TS
2
Ki = 33 nM
   TI
   LI
   LO
   TS