C20 H23 N3 S
A1ATP
(5R)-N-[2-(1,2-benzothiazol-3-yl)ethyl]-1-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(5R)-N-[2-(1,2-benzothiazol-3-yl)ethyl]-1-methyl-2,3,4,5-tet...Show more
Formula
Standard InChI
InChI=1S/C20H23N3S/c1-23-14-6-9-17(15-7-2-4-10-19(15)23)21-13-12-18-16-8-3-5-11-20(16)24-22-18/h2-5,7-8,10-11,17,21H,6,9...Show more
Standard InChI Key
NTSRRQYIQQABFA-QGZVFWFLSA-N
SMILES
CN1CCC[C@H](c2c1cccc2)NCCc3c4ccccc4sn3
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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