C21 H22 N4 O3 S
A1BGL
N-[2-(methanesulfonyl)-5-(piperazin-1-yl)phenyl]quinoline-5-carboxamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
N-[2-(methanesulfonyl)-5-(piperazin-1-yl)phenyl]quinoline-5-...Show more
Formula
Standard InChI
InChI=1S/C21H22N4O3S/c1-29(27,28)20-8-7-15(25-12-10-22-11-13-25)14-19(20)24-21(26)17-4-2-6-18-16(17)5-3-9-23-18/h2-9,14,...Show more
Standard InChI Key
FYNLNQWOIBMINH-UHFFFAOYSA-N
SMILES
CS(=O)(=O)c1ccc(cc1NC(=O)c2cccc3c2cccn3)N4CCNCC4
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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