C13 H10 F2 N4 S
A1BJS
6-({[3-(difluoromethyl)phenyl]methyl}sulfanyl)-9H-purine
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
6-({[3-(difluoromethyl)phenyl]methyl}sulfanyl)-9H-purine
Formula
Standard InChI
InChI=1S/C13H10F2N4S/c14-11(15)9-3-1-2-8(4-9)5-20-13-10-12(17-6-16-10)18-7-19-13/h1-4,6-7,11H,5H2,(H,16,17,18,19)
Standard InChI Key
LDFHABHDJCVWSS-UHFFFAOYSA-N
SMILES
c1cc(cc(c1)C(F)F)CSc2c3c([nH]cn3)ncn2
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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