General Information of the Compound
Compound ID
CP0459281
Compound Name
5-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-5-propan-2-yl-1,3-oxazolidine-2,4-dione
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Structure
Formula
C21H17FN2O4
Molecular Weight
380.375
Canonical SMILES
CC(C)C1(OC(=O)NC1=O)c1ccc([nH]c1=O)-c1ccc2cccc(F)c2c1
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InChI
InChI=1S/C21H17FN2O4/c1-11(2)21(19(26)24-20(27)28-21)15-8-9-17(23-18(15)25)13-7-6-12-4-3-5-16(22)14(12)10-13/h3-11H,1-2H3,(H,23,25)(H,24,26,27)
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InChIKey
HBIUBRAEDHJWRD-UHFFFAOYSA-N
Physicochemical Property
logP
3.4519
Rotatable Bonds
3
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).

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PubChem ID
CID: 49850346
SID: 104220083
ChEMBL ID
CHEMBL2035510
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: PT03555, Prostaglandin E2 receptor EP3 subtype
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
Ki = 3.162 nM
   TI
   LI
   LO
   TS
Protein ID: PT01367, Prostaglandin E2 receptor EP3 subtype
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
Ki = 3.162 nM
   TI
   LI
   LO
   TS