Molecular Details
DICL_CP_0312147
- 5-ethyl-5-phenyl-1,3-oxazolidine-2,4-dione
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0312147
PubChem CID
Molecular Formula
C11H11NO3 Molecular Weight
205.213 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
SGQOVJBGRJMVJR-UHFFFAOYSA-N
InChI
InChI=1S/C11H11NO3/c1-2-11(8-6-4-3-5-7-8)9(13)12-10(14)15-11/h3-7H,2H2,1H3,(H,12,13,14)
IUPAC Name
5-ethyl-5-phenyl-1,3-oxazolidine-2,4-dione
CAS Number
N/A (Not available)
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
26 27 0 0 0 0 0 0 0 0999 V2000
-1.8809 -0.8903 -1.5019 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9618 -0.3330 -0.0776 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7506 0.531...
Experimental Data
Activity Data
Target Ion Channel
Sodium channel protein type 1/2/3 subunit alpha
Uniprot Accession Number
Function
Antagonist
Species
Rattus norvegicus (Rat)
IC50
IC50: >800000 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
Not specified
Temperature
25 ℃
Test Method
Binding assay ([3H] BTX-B )
Test Species
Not specified
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
15
Rotatable Bonds
2
logP
1.5583
Complexity
53.0347
TPSA (Ų)
55.4
H-Bond Donors
1
H-Bond Acceptors
3
Ring Count
2