Molecular Details
DICL_CP_0332959
- 2-butyl-6-chloro-N-(pyridin-3-yl)-2H-benzo[b][1,4]oxazin-3-amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0332959
PubChem CID
N/A (Not available)
Molecular Formula
C17H18ClN3O Molecular Weight
315.804 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
FHOJMVIRYSZLQE-UHFFFAOYSA-N
InChI
InChI=1S/C17H18ClN3O/c1-2-3-6-16-17(20-13-5-4-9-19-11-13)21-14-10-12(18)7-8-15(14)22-16/h4-5,7-11,16...
IUPAC Name
2-butyl-6-chloro-N-(pyridin-3-yl)-2H-benzo[b][1,4]oxazin-3-amine
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
40 42 0 0 0 0 0 0 0 0999 V2000
-2.3060 5.5212 -1.2225 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.3879 4.2306 -0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2672 4.533...
Experimental Data
Activity Data
Target Ion Channel
G protein activated inward rectifier potassium channel 1/2
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
pH 7.2
Holding Potential
−60 mV mV
Temperature
20 °C
Test Method
Patch-clamping
Test Species
Not specified
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
4
logP
4.8283
Complexity
90.3477
TPSA (Ų)
46.51
H-Bond Donors
1
H-Bond Acceptors
4
Ring Count
3