General Information of the Compound
Compound ID
CP0503174
Compound Name
5-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)-1,3-oxazolidine-2,4-dione
    Show/Hide
Structure
Formula
C19H11F3N2O4
Molecular Weight
388.301
Canonical SMILES
FC(F)(F)C1(OC(=O)NC1=O)c1ccc([nH]c1=O)-c1ccc2ccccc2c1
    Show/Hide
InChI
InChI=1S/C19H11F3N2O4/c20-19(21,22)18(16(26)24-17(27)28-18)13-7-8-14(23-15(13)25)12-6-5-10-3-1-2-4-11(10)9-12/h1-9H,(H,23,25)(H,24,26,27)
    Show/Hide
InChIKey
XRCNALRZJWDTMY-UHFFFAOYSA-N
Physicochemical Property
logP
3.2191
Rotatable Bonds
2
Heavy Atom Count
28
Polar Areas
88.26
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
28

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 54586642
ChEMBL ID
CHEMBL1770323
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 = 125.89 nM
   TI
   LI
   LO
   TS