C11 H13 F3 N2 O7
GPW
1-(beta-D-glucopyranosyl)-5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
1-(glucosyl)-5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione,...Show more
Formula
Standard InChI
InChI=1S/C11H13F3N2O7/c12-11(13,14)3-1-16(10(22)15-8(3)21)9-7(20)6(19)5(18)4(2-17)23-9/h1,4-7,9,17-20H,2H2,(H,15,21,22)/...Show more
Standard InChI Key
NADUQTKHANBUDE-XSEHCYKFSA-N
SMILES
C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)...Show more
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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