C16 H13 F3 O3
A1JS6
(6~{R})-6-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(6~{R})-6-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-b...Show more
Formula
Standard InChI
InChI=1S/C16H13F3O3/c17-16(18,19)11-3-1-2-9(6-11)10-4-5-12-13(15(20)21)8-22-14(12)7-10/h1-3,6,8,10H,4-5,7H2,(H,20,21)/t1...Show more
Standard InChI Key
GLVDTIVRHZFUOY-SNVBAGLBSA-N
SMILES
c1cc(cc(c1)C(F)(F)F)[C@@H]2CCc3c(coc3C2)C(=O)O
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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