C13 H10 F3 N5
WWP
3-{[3-(trifluoromethyl)phenyl]methyl}-3H-purin-6-amine
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
3-{[3-(trifluoromethyl)phenyl]methyl}-3H-purin-6-amine
Formula
Standard InChI
InChI=1S/C13H10F3N5/c14-13(15,16)9-3-1-2-8(4-9)5-21-7-20-11(17)10-12(21)19-6-18-10/h1-4,6-7H,5,17H2
Standard InChI Key
XBJYKUQVYDSDTN-UHFFFAOYSA-N
SMILES
c1cc(cc(c1)C(F)(F)F)Cn2cnc(c-3ncnc23)N
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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