C14 H12 N2 O4
S2X
2-(5-acetamido-2-oxidanyl-phenyl)pyridine-4-carboxylic acid
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
2-(5-acetamido-2-oxidanyl-phenyl)pyridine-4-carboxylic acid
Formula
Standard InChI
InChI=1S/C14H12N2O4/c1-8(17)16-10-2-3-13(18)11(7-10)12-6-9(14(19)20)4-5-15-12/h2-7,18H,1H3,(H,16,17)(H,19,20)
Standard InChI Key
KWHVUGFDWSYWJF-UHFFFAOYSA-N
SMILES
CC(=O)Nc1ccc(c(c1)c2cc(ccn2)C(=O)O)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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