Molecular Details
DICL_CP_0416536
- 5-bromo-2-(3-chloropyridin-2-yl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0416536
PubChem CID
Molecular Formula
C19H14BrClN6O2 Molecular Weight
473.718 g/mol
Synonyms/Alias
[Cyantraniliprole; 736994-63-1; Cyazypyr; Cyantraniliprole [ISO]; LO6K6H48FD; 3-bromo-1-(3-chloropyridin-2-yl)-n-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]-1h-pyrazole-5-carboxamide; 3-Bromo-1-(3-ch...
InChI Key
DVBUIBGJRQBEDP-UHFFFAOYSA-N
InChI
InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)...
IUPAC Name
5-bromo-2-(3-chloropyridin-2-yl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide
CAS Number
736994-63-1
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
43 45 0 0 0 0 0 0 0 0999 V2000
-1.0301 -4.0634 -0.3757 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6322 -2.8384 -1.0105 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3700 -2.965...
Experimental Data
Activity Data
Target Ion Channel
Ryanodine receptor 1
Uniprot Accession Number
Function
Inactive
Species
Homo sapiens (Human)
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
pH 7.4
Holding Potential
Not mention mV
Temperature
Not mention
Test Method
Patch-clamping
Test Species
Not specified
Binding Information
Binding Site
Transmembrane domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
29
Rotatable Bonds
4
logP
3.4752
Complexity
111.3064
TPSA (Ų)
112.7
H-Bond Donors
2
H-Bond Acceptors
6
Ring Count
3