General Information of the Compound
Compound ID
CP0377855
Compound Name
5-methyl-5-(1-methyl-6-naphthalen-2-yl-2-oxopyridin-3-yl)-1,3-oxazolidine-2,4-dione
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Structure
Formula
C20H16N2O4
Molecular Weight
348.358
Canonical SMILES
Cn1c(ccc(c1=O)C1(C)OC(=O)NC1=O)-c1ccc2ccccc2c1
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InChI
InChI=1S/C20H16N2O4/c1-20(18(24)21-19(25)26-20)15-9-10-16(22(2)17(15)23)14-8-7-12-5-3-4-6-13(12)11-14/h3-11H,1-2H3,(H,21,24,25)
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InChIKey
ISZRMYSEPOZFGI-UHFFFAOYSA-N
Physicochemical Property
logP
2.6871
Rotatable Bonds
2
Heavy Atom Count
26
Polar Areas
77.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 54584715
ChEMBL ID
CHEMBL1770334
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 > 25118.86 nM
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   LI
   LO
   TS