Molecular Details
DICL_CP_0317659
- 3,4-difluoro-N-(6-fluoropyridin-3-yl)benzamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0317659
PubChem CID
Molecular Formula
C12H7F3N2O Molecular Weight
252.195 g/mol
Synonyms/Alias
[CHEMBL2046474; 3;4-Difluoro-N-(6-fluoro-3-pyridinyl)benzamide; SCHEMBL14339872; DTXSID401248350; BDBM50420042; 325458-00-2]
InChI Key
BZJXEYDCMWJKHJ-UHFFFAOYSA-N
InChI
InChI=1S/C12H7F3N2O/c13-9-3-1-7(5-10(9)14)12(18)17-8-2-4-11(15)16-6-8/h1-6H,(H,17,18)
IUPAC Name
3,4-difluoro-N-(6-fluoropyridin-3-yl)benzamide
CAS Number
325458-00-2
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
25 26 0 0 0 0 0 0 0 0999 V2000
-2.3718 1.8398 0.2658 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7596 1.8229 0.0976 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4135 0.629...
Experimental Data
Activity Data
Target Ion Channel
Potassium voltage-gated channel subfamily KQT member 2/3
Uniprot Accession Number
Function
Agonist
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
EC50: 4800 nM
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
Not mention
Test Method
Efflux Assay ([86] Rubidium Ion)
Test Species
CHO cell (Chinese Hamster Ovary cell)
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
2
logP
2.7512
Complexity
58.5062
TPSA (Ų)
41.99
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
2