General Information of the Compound
Compound ID
CP0498674
Compound Name
5-cyclopentyl-5-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)-1,3-oxazolidine-2,4-dione
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Structure
Formula
C23H20N2O4
Molecular Weight
388.423
Canonical SMILES
O=C1NC(=O)C(O1)(C1CCCC1)c1ccc([nH]c1=O)-c1ccc2ccccc2c1
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InChI
InChI=1S/C23H20N2O4/c26-20-18(23(17-7-3-4-8-17)21(27)25-22(28)29-23)11-12-19(24-20)16-10-9-14-5-1-2-6-15(14)13-16/h1-2,5-6,9-13,17H,3-4,7-8H2,(H,24,26)(H,25,27,28)
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InChIKey
XINPLYPMSJXXJN-UHFFFAOYSA-N
Physicochemical Property
logP
3.847
Rotatable Bonds
3
Heavy Atom Count
29
Polar Areas
88.26
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 54584713
ChEMBL ID
CHEMBL1770319
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 = 7.943 nM
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