C20 H28 N2 O4
A1IX2
1-[3-[2-(cyclohexylamino)-2-oxidanylidene-ethoxy]phenyl]piperidine-4-carboxylic acid
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
1-[3-[2-(cyclohexylamino)-2-oxidanylidene-ethoxy]phenyl]pipe...Show more
Formula
Standard InChI
InChI=1S/C20H28N2O4/c23-19(21-16-5-2-1-3-6-16)14-26-18-8-4-7-17(13-18)22-11-9-15(10-12-22)20(24)25/h4,7-8,13,15-16H,1-3,...Show more
Standard InChI Key
RZWMVPTXUFEHRU-UHFFFAOYSA-N
SMILES
c1cc(cc(c1)OCC(=O)NC2CCCCC2)N3CCC(CC3)C(=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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