Molecular Details
DICL_CP_0329413
- N-(3,3-dimethylbutyl)-4-hexoxybenzamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0329413
PubChem CID
Molecular Formula
C19H31NO2 Molecular Weight
305.462 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
JPQPUSQXWSSOFH-UHFFFAOYSA-N
InChI
InChI=1S/C19H31NO2/c1-5-6-7-8-15-22-17-11-9-16(10-12-17)18(21)20-14-13-19(2,3)4/h9-12H,5-8,13-15H2,1...
IUPAC Name
N-(3,3-dimethylbutyl)-4-hexoxybenzamide
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
53 53 0 0 0 0 0 0 0 0999 V2000
7.7212 2.3399 -1.3183 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2908 0.8882 -1.5078 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6896 0.315...
Experimental Data
Activity Data
Target Ion Channel
Potassium voltage-gated channel subfamily KQT member 1
Uniprot Accession Number
Function
Blocker
Species
Cavia porcellus (Guinea pig)
IC50
IC50: 250 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 7.5
Holding Potential
−80 to 40 mV mV
Temperature
37 °C
Test Method
Patch-clamping
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
22
Rotatable Bonds
9
logP
4.8117
Complexity
92.4842
TPSA (Ų)
38.33
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
1