C21 H27 N3 O3 S
W2Z
(1R,2S)-8-(ethanesulfonyl)-2-[(4R,5S,9aM)-5H-imidazo[5,1-a]isoindol-5-yl]-8-azaspiro[4.5]decan-1-ol
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(1R,2S)-8-(ethanesulfonyl)-2-[(4R,5S,9aM)-5H-imidazo[5,1-a]i...Show more
Formula
Standard InChI
InChI=1S/C21H27N3O3S/c1-2-28(26,27)23-11-9-21(10-12-23)8-7-17(20(21)25)19-16-6-4-3-5-15(16)18-13-22-14-24(18)19/h3-6,13-...Show more
Standard InChI Key
WFTNBEBSRJTXNN-DFQSSKMNSA-N
SMILES
CCS(=O)(=O)N1CCC2(CC[C@H]([C@H]2O)[C@H]3c4ccccc4-c5n3cnc5)CC...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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