C24 H26 F4 N6 O5 S2
XTO
3-fluoro-4-[1-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperidine-4-sulfonyl]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-(t...Show more
Formula
Standard InChI
InChI=1S/C24H26F4N6O5S2/c1-15-30-32-34(31-15)14-17-12-18(24(26,27)28)4-2-16(17)3-7-23(35)33-10-8-19(9-11-33)40(36,37)22-...Show more
Standard InChI Key
STNNVRLDLJCTHK-UHFFFAOYSA-N
SMILES
Cc1nnn(n1)Cc2cc(ccc2CCC(=O)N3CCC(CC3)S(=O)(=O)c4ccc(cc4F)S(=...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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