General Information of the Compound
Compound ID
CP0437974
Compound Name
5-benzyl-5-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)-1,3-oxazolidine-2,4-dione
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Structure
Formula
C25H18N2O4
Molecular Weight
410.429
Canonical SMILES
O=C1NC(=O)C(Cc2ccccc2)(O1)c1ccc([nH]c1=O)-c1ccc2ccccc2c1
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InChI
InChI=1S/C25H18N2O4/c28-22-20(25(23(29)27-24(30)31-25)15-16-6-2-1-3-7-16)12-13-21(26-22)19-11-10-17-8-4-5-9-18(17)14-19/h1-14H,15H2,(H,26,28)(H,27,29,30)
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InChIKey
ZSCARLZDNOPZLK-UHFFFAOYSA-N
Physicochemical Property
logP
3.8995
Rotatable Bonds
4
Heavy Atom Count
31
Polar Areas
88.26
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 54582745
ChEMBL ID
CHEMBL1770322
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
Ki = 15.85 nM
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