C21 H16 N2 O3 S
A1JFN
2-(phenylmethyl)-6-(phenylsulfonyl)phthalazin-1-one
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
2-(phenylmethyl)-6-(phenylsulfonyl)phthalazin-1-one
Formula
Standard InChI
InChI=1S/C21H16N2O3S/c24-21-20-12-11-19(27(25,26)18-9-5-2-6-10-18)13-17(20)14-22-23(21)15-16-7-3-1-4-8-16/h1-14H,15H2
Standard InChI Key
QCDDMJYCFMMEHW-UHFFFAOYSA-N
SMILES
c1ccc(cc1)CN2C(=O)c3ccc(cc3C=N2)S(=O)(=O)c4ccccc4
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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