Molecular Details
DICL_CP_0318930
- 2-(2-chlorophenyl)-N-(3-methylphenyl)acetamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0318930
PubChem CID
Molecular Formula
C15H14ClNO Molecular Weight
259.736 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
LJJYYLQQWXVYCC-UHFFFAOYSA-N
InChI
InChI=1S/C15H14ClNO/c1-11-5-4-7-13(9-11)17-15(18)10-12-6-2-3-8-14(12)16/h2-9H,10H2,1H3,(H,17,18)
IUPAC Name
2-(2-chlorophenyl)-N-(3-methylphenyl)acetamide
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
32 33 0 0 0 0 0 0 0 0999 V2000
3.0735 -2.1902 -2.1558 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9684 -1.2570 -0.9860 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0352 -1.124...
Experimental Data
Activity Data
Target Ion Channel
G protein-activated inward rectifier potassium channel 4
Uniprot Accession Number
Function
Activator
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: >10000 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
Not specified
Temperature
Room Temperature
Test Method
Flux assay (Thallium ion)
Test Species
HEK-293 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
3
logP
3.8296
Complexity
74.9647
TPSA (Ų)
29.1
H-Bond Donors
1
H-Bond Acceptors
1
Ring Count
2