C20 H18 F N O4 S
A1JFS
3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-4-methyl-5-phenyl-1~{H}-pyrrole-2-carboxylic acid
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-4-methyl-5-ph...Show more
Formula
Standard InChI
InChI=1S/C20H18FNO4S/c1-12-17(14-8-9-15(16(21)10-14)11-27(2,25)26)19(20(23)24)22-18(12)13-6-4-3-5-7-13/h3-10,22H,11H2,1-...Show more
Standard InChI Key
VBZYSWGHIJZHMW-UHFFFAOYSA-N
SMILES
Cc1c(c([nH]c1c2ccccc2)C(=O)O)c3ccc(c(c3)F)CS(=O)(=O)C
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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