General Information of the Compound
Compound ID
CP0959429
Compound Name
(Z)-5-(2-cyclopropyl-2-(6-(8-fluoronaphthalen-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)ethylidene)oxazolidine-2,4-dione
    Show/Hide
Structure
Formula
C23H17FN2O4
Molecular Weight
404.397
Canonical SMILES
O=C1NC(=O)/C(=C/C(c2ccc(-c3ccc4cccc(F)c4c3)[nH]c2=O)C2CC2)O1
    Show/Hide
InChI
InChI=1S/C23H17FN2O4/c24-18-3-1-2-12-6-7-14(10-17(12)18)19-9-8-15(21(27)25-19)16(13-4-5-13)11-20-22(28)26-23(29)30-20/h1-3,6-11,13,16H,4-5H2,(H,25,27)(H,26,28,29)/b20-11-
    Show/Hide
InChIKey
XWMIMVBHIQOKOK-JAIQZWGSSA-N
Physicochemical Property
logP
3.9781
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
88.26
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
30

"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: 137477703
ChEMBL ID
CHEMBL4750905
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 = 33 nM
   TI
   LI
   LO
   TS