Molecular Details
DICL_CP_0310978
- (E)-N-(3-methyl-4-(p-tolyl)but-3-en-2-yl)hydroxylamine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0310978
PubChem CID
N/A (Not available)
Molecular Formula
C12H17NO Molecular Weight
191.274 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
QXPDMUADJCSQBC-CSKARUKUSA-N
InChI
InChI=1S/C12H17NO/c1-9-4-6-12(7-5-9)8-10(2)11(3)13-14/h4-8,11,13-14H,1-3H3/b10-8+
IUPAC Name
(E)-N-(3-methyl-4-(p-tolyl)but-3-en-2-yl)hydroxylamine
CAS Number
63041-90-7
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
31 31 0 0 0 0 0 0 0 0999 V2000
5.0838 -0.0447 -0.3724 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6106 0.2178 -0.2682 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9327 0.868...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential cation channel subfamily V member 3
Uniprot Accession Number
Function
Inactive
Species
Mus musculus (Mouse)
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
0 °C
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay
Test Species
CHO cell (Chinese hamster ovary cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
14
Rotatable Bonds
3
logP
2.7656
Complexity
59.2142
TPSA (Ų)
32.26
H-Bond Donors
2
H-Bond Acceptors
2
Ring Count
1