C17 H11 F3 N4 O2 S
ORL
3-[(~{E})-[3-sulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
3-[(~{E})-[3-sulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-tr...Show more
Formula
Standard InChI
InChI=1S/C17H11F3N4O2S/c18-17(19,20)13-6-4-11(5-7-13)14-22-23-16(27)24(14)21-9-10-2-1-3-12(8-10)15(25)26/h1-9H,(H,23,27)...Show more
Standard InChI Key
PJNXGQNXUOFJCG-ZVBGSRNCSA-N
SMILES
c1cc(cc(c1)C(=O)O)/C=N/n2c(nnc2S)c3ccc(cc3)C(F)(F)F
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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