Molecular Details
DICL_CP_0315473
- N'-(2-methylphenyl)heptanehydrazide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0315473
PubChem CID
Molecular Formula
C14H22N2O Molecular Weight
234.343 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
YHCZXYOUQUJSAY-UHFFFAOYSA-N
InChI
InChI=1S/C14H22N2O/c1-3-4-5-6-11-14(17)16-15-13-10-8-7-9-12(13)2/h7-10,15H,3-6,11H2,1-2H3,(H,16,17)
IUPAC Name
N'-(2-methylphenyl)heptanehydrazide
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
39 39 0 0 0 0 0 0 0 0999 V2000
5.7300 0.2667 -0.9721 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9868 -1.0100 -0.5814 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4268 -0.963...
Experimental Data
Activity Data
Target Ion Channel
P2X purinoceptor 7
Uniprot Accession Number
Function
Antagonist
Species
Rattus norvegicus (Rat)
IC50
IC50: 194.98 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
Not specified
Temperature
4 °C
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay
Test Species
THP-1 cell
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
17
Rotatable Bonds
7
logP
3.4085
Complexity
71.7034
TPSA (Ų)
41.13
H-Bond Donors
2
H-Bond Acceptors
2
Ring Count
1