C20 H20 N2 O5
963
(1R,9S)-13-(3,5-dimethoxy-4-oxidanyl-phenyl)carbonyl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(1R,9S)-13-(3,5-dimethoxy-4-oxidanyl-phenyl)carbonyl-11,13-d...Show more
Formula
Standard InChI
InChI=1S/C20H20N2O5/c1-26-16-8-12(9-17(27-2)18(16)23)20(25)22-14-7-11-5-3-4-6-13(11)15(22)10-21-19(14)24/h3-6,8-9,14-15,...Show more
Standard InChI Key
JRZNNUGTWNEAQO-GJZGRUSLSA-N
SMILES
COc1cc(cc(c1O)OC)C(=O)N2[C@H]3Cc4ccccc4[C@@H]2CNC3=O
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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