General Information of the Compound
Compound ID
CP0520913
Compound Name
5-(5-methyl-6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)-5-propan-2-yl-1,3-oxazolidine-2,4-dione
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Structure
Formula
C22H20N2O4
Molecular Weight
376.412
Canonical SMILES
CC(C)C1(OC(=O)NC1=O)c1cc(C)c([nH]c1=O)-c1ccc2ccccc2c1
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InChI
InChI=1S/C22H20N2O4/c1-12(2)22(20(26)24-21(27)28-22)17-10-13(3)18(23-19(17)25)16-9-8-14-6-4-5-7-15(14)11-16/h4-12H,1-3H3,(H,23,25)(H,24,26,27)
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InChIKey
SVEOGOVDBURWSM-UHFFFAOYSA-N
Physicochemical Property
logP
3.62122
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: 53234014
SID: 124342835
ChEMBL ID
CHEMBL1770337
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 = 6.31 nM
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