C25 H28 F4 N6 O3 S2
XDB
3-fluoro-4-({[1-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperidin-4-yl]methyl}sulfanyl)benzene-1-sulfonamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
3-fluoro-4-({[1-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-...Show more
Formula
Standard InChI
InChI=1S/C25H28F4N6O3S2/c1-16-31-33-35(32-16)14-19-12-20(25(27,28)29)4-2-18(19)3-7-24(36)34-10-8-17(9-11-34)15-39-23-6-5...Show more
Standard InChI Key
DKGWFJXODFKPJZ-UHFFFAOYSA-N
SMILES
Cc1nnn(n1)Cc2cc(ccc2CCC(=O)N3CCC(CC3)CSc4ccc(cc4F)S(=O)(=O)N...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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