C21 H27 N3 O5 S
L45
~{N}-[5-(diethylsulfamoyl)-2-oxidanyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
~{N}-[5-(diethylsulfamoyl)-2-oxidanyl-phenyl]-3-methyl-4-oxi...Show more
Formula
Standard InChI
InChI=1S/C21H27N3O5S/c1-4-24(5-2)30(28,29)14-10-11-17(25)16(12-14)23-21(27)20-15-8-6-7-9-18(26)19(15)13(3)22-20/h10-12,2...Show more
Standard InChI Key
RFIBRDFTONIULJ-UHFFFAOYSA-N
SMILES
CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)c2c3c(c([nH]2)C)C(=O)CCCC3)...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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