C32 H47 N3 O3 S
SBF
N-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-2-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
N-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octy...Show more
Formula
Standard InChI
InChI=1S/C32H47N3O3S/c1-35(2)29-13-9-12-28-27(29)11-10-14-30(28)39(37,38)34-16-8-6-4-3-5-7-15-33-31(36)23-32-20-24-17-25...Show more
Standard InChI Key
TVVCEXXSODKKQE-VGUGBWKQSA-N
SMILES
CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCNC(=O)CC34CC5CC(C3)CC(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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