C36 H40 N4 O6 S2
LI0
4-(4-BENZYL-4-METHOXYPIPERIDIN-1-YL)-N-[(4-{[1,1-DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-3-NITROPHENYL)SULFONYL]BENZAMIDE
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
We have redesigned this page to enhance your experience. Take an on-page tour.
Synonyms
4-(4-BENZYL-4-METHOXYPIPERIDIN-1-YL)-N-[(4-{[1,1-DIMETHYL-2-...Show more
Formula
Standard InChI
InChI=1S/C36H40N4O6S2/c1-35(2,26-47-30-12-8-5-9-13-30)37-32-19-18-31(24-33(32)40(42)43)48(44,45)38-34(41)28-14-16-29(17-...Show more
Standard InChI Key
REQAXYXBBHHBCA-UHFFFAOYSA-N
SMILES
CC(C)(CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc...Show more
Source OpenEye
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.
Displayed: 1 / 2