C21 H18 N6 O4 S
A1JEB
6-[[7-(dimethylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl]-2-(1~{H}-pyrazol-4-ylmethyl)isoquinolin-1-one
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
6-[[7-(dimethylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl]-2-(...Show more
Formula
Standard InChI
InChI=1S/C21H18N6O4S/c1-26(2)17-5-6-18(20-19(17)24-31-25-20)32(29,30)15-3-4-16-14(9-15)7-8-27(21(16)28)12-13-10-22-23-11...Show more
Standard InChI Key
MXZCIUSEAUFCEL-UHFFFAOYSA-N
SMILES
CN(C)c1ccc(c2c1non2)S(=O)(=O)c3ccc4c(c3)C=CN(C4=O)Cc5c[nH]nc...Show more
Source OpenEye
First observed in
Overall view, and highlighted
scaffolds and fragments ![help icon]()
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
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