C29 H30 N2 O3 S
VTJ
compound
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
compound
Formula
Standard InChI
InChI=1S/C29H30N2O3S/c1-35(33,34)26-12-6-11-25-27(26)23-10-5-7-21-14-13-20(17-24(21)28(23)30-25)18-31-16-15-29(32,19-31)...Show more
Standard InChI Key
DQCBLCPTXXGKPW-GDLZYMKVSA-N
SMILES
CS(=O)(=O)c1cccc2c1c3c([nH]2)-c4cc(ccc4CCC3)CN5CC[C@@](C5)(c...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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