C25 H30 N2 O2
A1CIP
{6-[(3R,4R)-1-cyclobutyl-4-ethylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl}acetonitrile
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
{6-[(3R,4R)-1-cyclobutyl-4-ethylpiperidine-3-carbonyl]-2-met...Show more
Formula
Standard InChI
InChI=1S/C25H30N2O2/c1-3-17-12-14-27(20-5-4-6-20)16-23(17)25(28)19-7-9-21-18(15-19)8-10-24(29-2)22(21)11-13-26/h7-10,15,...Show more
Standard InChI Key
IVYXIZSSLAKIFL-HXOBKFHXSA-N
SMILES
CC[C@@H]1CCN(C[C@@H]1C(=O)c2ccc3c(c2)ccc(c3CC#N)OC)C4CCC4
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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