Molecular Details
DICL_CP_0348970
- 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-difluoro-5,6-dihydro-4H-cyclopenta[c]pyrazole
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0348970
PubChem CID
Molecular Formula
C13H7Cl2F5N2 Molecular Weight
357.109 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
PSRFKHITIJTTIS-UHFFFAOYSA-N
InChI
InChI=1S/C13H7Cl2F5N2/c14-7-2-6(13(18,19)20)3-8(15)12(7)22-4-5-1-9(16)10(17)11(5)21-22/h2-4,9-10H,1H...
IUPAC Name
2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-difluoro-5,6-dihydro-4H-cyclopenta[c]pyrazole
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
22 24 0 0 0 0 0 0 0 0999 V2000
6.9096 -0.4307 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.4111 -0.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4758 -1...
Experimental Data
Activity Data
Target Ion Channel
Gamma-aminobutyric acid receptor subunit beta
Uniprot Accession Number
Function
Antagonist
Species
Musca domestica (House fly)
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
pH 7.5
Holding Potential
Not specified
Temperature
24 ℃
Test Method
Binding assay ([3H] EBOB)
Test Species
housefly
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
22
Rotatable Bonds
1
logP
5.1027
Complexity
71.035
TPSA (Ų)
17.82
H-Bond Donors
0
H-Bond Acceptors
2
Ring Count
3