Molecular Details
DICL_CP_0324598
- 2-hydroxy-N-(2-methoxy-5-nitrophenyl)benzamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0324598
PubChem CID
Molecular Formula
C14H12N2O5 Molecular Weight
288.259 g/mol
Synonyms/Alias
[CHEMBL453712; Oprea1_356721; BDBM50412636; AKOS000369793]
InChI Key
IEPFGMASGCKFHX-UHFFFAOYSA-N
InChI
InChI=1S/C14H12N2O5/c1-21-13-7-6-9(16(19)20)8-11(13)15-14(18)10-4-2-3-5-12(10)17/h2-8,17H,1H3,(H,15,...
IUPAC Name
2-hydroxy-N-(2-methoxy-5-nitrophenyl)benzamide
CAS Number
330215-67-3
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
33 34 0 0 0 0 0 0 0 0999 V2000
2.4095 -3.2806 -1.3788 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6360 -2.1571 -0.9703 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1710 -0.970...
Experimental Data
Activity Data
Target Ion Channel
BK large conductance calcium activated potassium channel
Uniprot Accession Number
Function
Activator
Species
Rattus norvegicus (Rat)
IC50
pIC50: 6.35
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
37 °C
Test Method
Binding assay
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
21
Rotatable Bonds
4
logP
2.5613
Complexity
75.7084
TPSA (Ų)
101.7
H-Bond Donors
2
H-Bond Acceptors
5
Ring Count
2