C23 H25 N3 O3 S
A1IPG
~{N}-[[(3~{S})-1-ethanoylpyrrolidin-3-yl]methyl]-~{N}-methyl-4-quinolin-7-yl-benzenesulfonamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
~{N}-[[(3~{S})-1-ethanoylpyrrolidin-3-yl]methyl]-~{N}-methyl...Show more
Formula
Standard InChI
InChI=1S/C23H25N3O3S/c1-17(27)26-13-11-18(16-26)15-25(2)30(28,29)22-9-7-19(8-10-22)21-6-5-20-4-3-12-24-23(20)14-21/h3-10...Show more
Standard InChI Key
ODJLDVQUQRRAAY-GOSISDBHSA-N
SMILES
CC(=O)N1CC[C@@H](C1)CN(C)S(=O)(=O)c2ccc(cc2)c3ccc4cccnc4c3
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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