C24 H20 Cl2 F N O
XKT
2-(3,4-dichlorophenyl)-1-{8-[(4-fluorophenyl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}ethan-1-one
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
We have redesigned this page to enhance your experience. Take an on-page tour.
Synonyms
2-(3,4-dichlorophenyl)-1-{8-[(4-fluorophenyl)methyl]-3,4-dih...Show more
Formula
Standard InChI
InChI=1S/C24H20Cl2FNO/c25-22-9-6-17(13-23(22)26)14-24(29)28-11-10-18-2-1-3-19(21(18)15-28)12-16-4-7-20(27)8-5-16/h1-9,13...Show more
Standard InChI Key
QRXFORJVUBYXCE-UHFFFAOYSA-N
SMILES
c1cc2c(c(c1)Cc3ccc(cc3)F)CN(CC2)C(=O)Cc4ccc(c(c4)Cl)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.
Displayed: 1 / 2