General Information of the Compound
Compound ID
CP0958537
Compound Name
(Z)-5-(3-Ethyl-2-(6-(8-fluoronaphthalen-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)pentylidene)oxazolidine-2,4-dione
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Structure
Formula
C25H23FN2O4
Molecular Weight
434.467
Canonical SMILES
CCC(CC)C(/C=C1\OC(=O)NC1=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
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InChI
InChI=1S/C25H23FN2O4/c1-3-14(4-2)18(13-22-24(30)28-25(31)32-22)17-10-11-21(27-23(17)29)16-9-8-15-6-5-7-20(26)19(15)12-16/h5-14,18H,3-4H2,1-2H3,(H,27,29)(H,28,30,31)/b22-13-
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InChIKey
RMNVTLNNAKHYGL-XKZIYDEJSA-N
Physicochemical Property
logP
5.0043
Rotatable Bonds
6
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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PubChem ID
CID: 137477918
ChEMBL ID
CHEMBL4765017
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 = 23 nM
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