C33 H30 N2 O5 S2
A1EX7
CS(=O)(=O)N1C(=O)c2ccccc2[C@]13c4cc5c6c(c4Oc7c3c8cc(ccc8cc7)OCCS)CCCN6CCC5
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
CS(=O)(=O)N1C(=O)c2ccccc2[C@]13c4cc5c6c(c4Oc7c3c8cc(ccc8cc7)...Show more
Formula
Standard InChI
InChI=1S/C33H30N2O5S2/c1-42(37,38)35-32(36)23-7-2-3-9-26(23)33(35)27-18-21-6-4-14-34-15-5-8-24(30(21)34)31(27)40-28-13-1...Show more
Standard InChI Key
DTOPCVBYLPQPHK-MGBGTMOVSA-N
SMILES
CS(=O)(=O)N1C(=O)c2ccccc2[C@]13c4cc5c6c(c4Oc7c3c8cc(ccc8cc7)...Show more
Source OpenEye
Is part of
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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