C19 H14 N2 O
NO0
2-(3-ethynylphenyl)-N-(isoquinolin-4-yl)acetamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
2-(3-ethynylphenyl)-N-(isoquinolin-4-yl)acetamide
Formula
Standard InChI
InChI=1S/C19H14N2O/c1-2-14-6-5-7-15(10-14)11-19(22)21-18-13-20-12-16-8-3-4-9-17(16)18/h1,3-10,12-13H,11H2,(H,21,22)
Standard InChI Key
CLLYBOMGFSNDSO-UHFFFAOYSA-N
SMILES
C#Cc1cccc(c1)CC(=O)Nc2cncc3c2cccc3
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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