Molecular Details
DICL_CP_0321942
- 8-chloro-4-fluoro-5-methyl-9H-carbazole-1-carboxylate
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0321942
PubChem CID
Molecular Formula
C14H8ClFNO2- Molecular Weight
276.674 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
HPPILTSFNNPAGH-UHFFFAOYSA-M
InChI
InChI=1S/C14H9ClFNO2/c1-6-2-4-8(15)13-10(6)11-9(16)5-3-7(14(18)19)12(11)17-13/h2-5,17H,1H3,(H,18,19)...
IUPAC Name
8-chloro-4-fluoro-5-methyl-9H-carbazole-1-carboxylate
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
19 21 0 0 0 0 0 0 0 0999 V2000
-2.6822 -2.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6324 -1.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9057 -0...
Experimental Data
Activity Data
Target Ion Channel
Chloride channel protein 2
Uniprot Accession Number
Function
Modulator
Species
Homo sapiens (Human)
IC50
IC50: 200 nM
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
Not mention
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
DOI
N/A (Not available)
URL
N/A (Not available)
PMID
N/A (Not available)
Patent
US11173137
Computed Properties
Heavy Atom Count
19
Rotatable Bonds
1
logP
2.7855
Complexity
69.8402
TPSA (Ų)
55.92
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
3