C33 H49 N3 O3 S
C3Q
N-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-3-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]propanamide
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/C33H49N3O3S/c1-36(2)30-13-9-12-29-28(30)11-10-14-31(29)40(38,39)35-18-8-6-4-3-5-7-17-34-32(37)15-16-33-22-25-19...Show more
Standard InChI Key
WYIWVDLFMCQXIE-ITPBCFKRSA-N
SMILES
CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCNC(=O)CCC34CC5CC(C3)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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