C17 H10 F4 N2 O
A1CAS
2-fluoro-N-(isoquinolin-4-yl)-5-(trifluoromethyl)benzamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
2-fluoro-N-(isoquinolin-4-yl)-5-(trifluoromethyl)benzamide
Formula
Standard InChI
InChI=1S/C17H10F4N2O/c18-14-6-5-11(17(19,20)21)7-13(14)16(24)23-15-9-22-8-10-3-1-2-4-12(10)15/h1-9H,(H,23,24)
Standard InChI Key
CFJHQKCYXRNORA-UHFFFAOYSA-N
SMILES
c1ccc2c(c1)cncc2NC(=O)c3cc(ccc3F)C(F)(F)F
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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