C10 H12 Cl N O2
2C0
baclofen
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
STX209, STX-209, Arbaclofen, D-baclofen, Arbaclofeno, Arbacl...Show more
Formula
Standard InChI
InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1
Standard InChI Key
KPYSYYIEGFHWSV-QMMMGPOBSA-N
SMILES
c1cc(ccc1[C@@H](CC(=O)O)CN)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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