Molecular Details
DICL_CP_0308073
- 5-acetyl-1H-imidazole-4-carboxamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0308073
PubChem CID
N/A (Not available)
Molecular Formula
C6H7N3O2 Molecular Weight
153.141 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
INJNTAVQHWCOPA-UHFFFAOYSA-N
InChI
InChI=1S/C6H7N3O2/c1-3(10)4-5(6(7)11)9-2-8-4/h2H,1H3,(H2,7,11)(H,8,9)
IUPAC Name
5-acetyl-1H-imidazole-4-carboxamide
CAS Number
355814-08-3
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
18 18 0 0 0 0 0 0 0 0999 V2000
2.2235 -0.7198 0.5381 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7055 0.6014 0.0615 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5324 1.488...
Experimental Data
Activity Data
Target Ion Channel
Aquaporin-4
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 specified
Temperature
18 °C
Test Method
Binding assay
Test Species
Xenopus laevis oocyte
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
11
Rotatable Bonds
2
logP
-0.2888
Complexity
37.1101
TPSA (Ų)
88.84
H-Bond Donors
2
H-Bond Acceptors
3
Ring Count
1