C13 H6 Cl2 N2 O4
BUX
7-chloranyl-2-[(3-chlorophenyl)amino]pyrano[3,4-e][1,3]oxazine-4,5-dione
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
7-chloranyl-2-[(3-chlorophenyl)amino]pyrano[3,4-e][1,3]oxazi...Show more
Formula
Standard InChI
InChI=1S/C13H6Cl2N2O4/c14-6-2-1-3-7(4-6)16-13-17-11(18)10-8(20-13)5-9(15)21-12(10)19/h1-5H,(H,16,17,18)
Standard InChI Key
YBBCXMKGFBMRLJ-UHFFFAOYSA-N
SMILES
c1cc(cc(c1)Cl)NC2=NC(=O)C3=C(O2)C=C(OC3=O)Cl
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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