Molecular Details
DICL_CP_0307113
- (4R)-4-aminooxolan-3-one
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307113
PubChem CID
Molecular Formula
C4H7NO2 Molecular Weight
101.105 g/mol
Synonyms/Alias
[SCHEMBL13196662]
InChI Key
ZONXMMDPDDVDDH-GSVOUGTGSA-N
InChI
InChI=1S/C4H7NO2/c5-3-1-7-2-4(3)6/h3H,1-2,5H2/t3-/m1/s1
IUPAC Name
(4R)-4-aminooxolan-3-one
CAS Number
1021423-50-6
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
14 14 0 0 0 0 0 0 0 0999 V2000
0.0180 1.2973 -0.2656 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6402 -0.0732 -0.5361 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.4184 -0.963...
Experimental Data
Activity Data
Target Ion Channel
Aquaporin-4
Uniprot Accession Number
Function
Inactive
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
No effect
Experimental Conditions
pH
Not mention
Holding Potential
Not specified
Temperature
18 °C
Test Method
Binding assay
Test Species
Xenopus laevis oocyte
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
7
Rotatable Bonds
0
logP
-1.087
Complexity
23.8014
TPSA (Ų)
52.32
H-Bond Donors
1
H-Bond Acceptors
3
Ring Count
1