Molecular Details
DICL_CP_0307054
- cyclohexa-1,3-diene
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307054
PubChem CID
Molecular Formula
C6H8 Molecular Weight
80.13 g/mol
Synonyms/Alias
[1;3-CYCLOHEXADIENE; Cyclohexa-1;3-diene; 592-57-4; CYCLOHEXADIENE; 1;2-dihydrobenzene; MFCD00001532; JV5W0EG5BP; 29797-09-9; 1165952-91-9; Cyclohexadiene-1;3; EINECS 209-764-1; UNII-JV5W0EG5BP; cyclo...
InChI Key
MGNZXYYWBUKAII-UHFFFAOYSA-N
InChI
InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-4H,5-6H2
IUPAC Name
cyclohexa-1,3-diene
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
14 14 0 0 0 0 0 0 0 0999 V2000
-1.1270 -0.5465 0.3991 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9887 0.8013 -0.3296 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3952 1.373...
Experimental Data
Activity Data
Target Ion Channel
intermediate-/small-conductance Calcium activated potassium channel (KCNN4)
Uniprot Accession Number
Function
Blocker
Species
Homo sapiens (Human)
IC50
IC50: 13 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 7.4
Holding Potential
Not specified
Temperature
37 °C
Test Method
Efflux Assay ([86] Rubidium Ion)
Test Species
Rattus norvegicus glioma cells
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
URL
N/A (Not available)
PMID
Patent
N/A (Not available)
Computed Properties
Heavy Atom Count
6
Rotatable Bonds
0
logP
1.8926
Complexity
27.514
TPSA (Ų)
0
H-Bond Donors
0
H-Bond Acceptors
0
Ring Count
1