C16 H22 Cl2 N2 O
A1DAF
2-chloro-1-{(2R,6S)-4-[2-(4-chlorophenyl)ethyl]-2,6-dimethylpiperazin-1-yl}ethan-1-one
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
2-chloro-1-{(2R,6S)-4-[2-(4-chlorophenyl)ethyl]-2,6-dimethyl...Show more
Formula
Standard InChI
InChI=1S/C16H22Cl2N2O/c1-12-10-19(11-13(2)20(12)16(21)9-17)8-7-14-3-5-15(18)6-4-14/h3-6,12-13H,7-11H2,1-2H3/t12-,13+
Standard InChI Key
KBOJOYDIYLZXHN-BETUJISGSA-N
SMILES
C[C@@H]1CN(C[C@@H](N1C(=O)CCl)C)CCc2ccc(cc2)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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