Molecular Details
DICL_CP_0315218
- N'-(2-methylphenyl)cyclohexanecarbohydrazide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0315218
PubChem CID
Molecular Formula
C14H20N2O Molecular Weight
232.327 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
VDPHFPMYRKQGJS-UHFFFAOYSA-N
InChI
InChI=1S/C14H20N2O/c1-11-7-5-6-10-13(11)15-16-14(17)12-8-3-2-4-9-12/h5-7,10,12,15H,2-4,8-9H2,1H3,(H,...
IUPAC Name
N'-(2-methylphenyl)cyclohexanecarbohydrazide
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
37 38 0 0 0 0 0 0 0 0999 V2000
-4.1290 -1.5899 -1.4276 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1192 -0.5204 -0.3689 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3202 -0.184...
Experimental Data
Activity Data
Target Ion Channel
P2X purinoceptor 7
Uniprot Accession Number
Function
Antagonist
Species
Rattus norvegicus (Rat)
IC50
IC50: 245.47 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
3
logP
3.0184
Complexity
69.5194
TPSA (Ų)
41.13
H-Bond Donors
2
H-Bond Acceptors
2
Ring Count
2