General Information of the Compound
Compound ID
CP0555218
Compound Name
5-methyl-5-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)-3-propan-2-yl-1,3-oxazolidine-2,4-dione
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Structure
Formula
C22H20N2O4
Molecular Weight
376.412
Canonical SMILES
CC(C)N1C(=O)OC(C)(C1=O)c1ccc([nH]c1=O)-c1ccc2ccccc2c1
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InChI
InChI=1S/C22H20N2O4/c1-13(2)24-20(26)22(3,28-21(24)27)17-10-11-18(23-19(17)25)16-9-8-14-6-4-5-7-15(14)12-16/h4-13H,1-3H3,(H,23,25)
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InChIKey
FAEBICDZIIEOKJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.7975
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
79.47
Hydrogen Bond Donor Count
1
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: 54583736
ChEMBL ID
CHEMBL1770326
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 = 1584.89 nM
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