C18 H19 N3 O
S87
ondansetron
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
A04AA01, Zuplenz, GR-38032, EUR-1025, Zofran odt, NSC-757870...Show more
Formula
Standard InChI
InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3
Standard InChI Key
FELGMEQIXOGIFQ-UHFFFAOYSA-N
SMILES
Cc1nccn1CC2CCc3c(c4ccccc4n3C)C2=O
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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