General Information of the Compound
Compound ID
CP0555219
Compound Name
5-(6-naphthalen-2-yl-2-oxo-5-phenyl-1H-pyridin-3-yl)-5-propan-2-yl-1,3-oxazolidine-2,4-dione
    Show/Hide
Structure
Formula
C27H22N2O4
Molecular Weight
438.483
Canonical SMILES
CC(C)C1(OC(=O)NC1=O)c1cc(-c2ccccc2)c([nH]c1=O)-c1ccc2ccccc2c1
    Show/Hide
InChI
InChI=1S/C27H22N2O4/c1-16(2)27(25(31)29-26(32)33-27)22-15-21(18-9-4-3-5-10-18)23(28-24(22)30)20-13-12-17-8-6-7-11-19(17)14-20/h3-16H,1-2H3,(H,28,30)(H,29,31,32)
    Show/Hide
InChIKey
ZZGFQAOGVLQGFU-UHFFFAOYSA-N
Physicochemical Property
logP
4.9798
Rotatable Bonds
4
Heavy Atom Count
33
Polar Areas
88.26
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
33

"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: 54587665
ChEMBL ID
CHEMBL1770338
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 = 2511.89 nM
   TI
   LI
   LO
   TS