General Information of the Compound
Compound ID
CP0568404
Compound Name
(5Z)-5-[2-[6-(6,8-difluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-ethylbutylidene]-1,3-oxazolidine-2,4-dione
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Formula
C24H20F2N2O4
Molecular Weight
438.43
Canonical SMILES
CCC(CC)(\C=C1/OC(=O)NC1=O)c1ccc([nH]c1=O)-c1ccc2cc(F)cc(F)c2c1
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InChI
InChI=1S/C24H20F2N2O4/c1-3-24(4-2,12-20-22(30)28-23(31)32-20)17-7-8-19(27-21(17)29)14-6-5-13-9-15(25)11-18(26)16(13)10-14/h5-12H,3-4H2,1-2H3,(H,27,29)(H,28,30,31)/b20-12-
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InChIKey
WUDKHOVMEVXKGZ-NDENLUEZSA-N
Physicochemical Property
logP
4.6814
Rotatable Bonds
5
Heavy Atom Count
32
Polar Areas
88.26
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
32

"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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ChEMBL ID
CHEMBL4780007
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)  1
1
IC50 = 45 nM
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