General Information of the Compound
Compound ID
CP0460683
Compound Name
5-(2-methoxy-4-naphthalen-2-ylphenyl)-5-methyl-1,3-oxazolidine-2,4-dione
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Structure
Formula
C21H17NO4
Molecular Weight
347.37
Canonical SMILES
COc1cc(ccc1C1(C)OC(=O)NC1=O)-c1ccc2ccccc2c1
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InChI
InChI=1S/C21H17NO4/c1-21(19(23)22-20(24)26-21)17-10-9-16(12-18(17)25-2)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,1-2H3,(H,22,23,24)
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InChIKey
KVWWPJAEYKWOHZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.997
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
64.63
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 54580771
ChEMBL ID
CHEMBL1770330
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 = 3162.28 nM
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   LI
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