C19 H18 N2 O3 S
8FK
(2~{S})-~{N}-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)oxolane-2-carboxamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(2~{S})-~{N}-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothi...Show more
Formula
Standard InChI
InChI=1S/C19H18N2O3S/c1-21-14-9-8-12(20-18(22)15-6-4-10-24-15)11-17(14)25-16-7-3-2-5-13(16)19(21)23/h2-3,5,7-9,11,15H,4,...Show more
Standard InChI Key
DOZUHRRHXYFZFW-HNNXBMFYSA-N
SMILES
CN1c2ccc(cc2Sc3ccccc3C1=O)NC(=O)[C@@H]4CCCO4
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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