C23 H22 Cl F N2 O2
A1CZP
(4S,5S)-1-[(2E)-but-2-enoyl]-7-(3-chloro-5-fluorophenyl)-4-phenyl-1,7-diazaspiro[4.4]nonan-6-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
(4S,5S)-1-[(2E)-but-2-enoyl]-7-(3-chloro-5-fluorophenyl)-4-p...Show more
Formula
Standard InChI
InChI=1S/C23H22ClFN2O2/c1-2-6-21(28)27-11-9-20(16-7-4-3-5-8-16)23(27)10-12-26(22(23)29)19-14-17(24)13-18(25)15-19/h2-8,1...Show more
Standard InChI Key
AUHNITIWHHPEDH-REWPJTCUSA-N
SMILES
CC=CC(=O)N1CC[C@H]([C@]12CCN(C2=O)c3cc(cc(c3)Cl)F)c4ccccc4
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