C15 H12 Br Cl O3
A1JS0
(6~{R})-6-(2-bromanyl-6-chloranyl-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-(2-bromanyl-6-chloranyl-phenyl)-4,5,6,7-tetrahydro...Show more
Formula
Standard InChI
InChI=1S/C15H12BrClO3/c16-11-2-1-3-12(17)14(11)8-4-5-9-10(15(18)19)7-20-13(9)6-8/h1-3,7-8H,4-6H2,(H,18,19)/t8-/m1/s1
Standard InChI Key
PXATWEDKSIVULN-MRVPVSSYSA-N
SMILES
c1cc(c(c(c1)Br)[C@@H]2CCc3c(coc3C2)C(=O)O)Cl
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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