Molecular Details
DICL_CP_0316704
- (4aS,10bR)-5,5-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b][1,4]oxazine-9-carbonitrile
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0316704
PubChem CID
N/A (Not available)
Molecular Formula
C14H16N2O2 Molecular Weight
244.294 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
SPJWDGVRHDGJBR-OLZOCXBDSA-N
InChI
InChI=1S/C14H16N2O2/c1-14(2)13-12(16-5-6-17-13)10-7-9(8-15)3-4-11(10)18-14/h3-4,7,12-13,16H,5-6H2,1-...
IUPAC Name
(4aS,10bR)-5,5-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b][1,4]oxazine-9-carbonitrile
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
34 36 0 0 0 0 0 0 0 0999 V2000
4.5429 3.3345 2.2944 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6965 2.5579 2.1540 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6435 1.591...
Experimental Data
Activity Data
Target Ion Channel
ATP sensitive inward rectifier potassium channel 12
Uniprot Accession Number
Function
Inactive
Species
Rattus norvegicus (Rat)
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 mention mV
Temperature
Not mention
Test Method
Patch-clamping
Test Species
Rat Detrusor Strip
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
18
Rotatable Bonds
0
logP
1.7588
Complexity
66.3477
TPSA (Ų)
54.28
H-Bond Donors
1
H-Bond Acceptors
4
Ring Count
3