C31 H42 F3 N7 O3
A1DI7
1-(4-{(2R,3R)-1-[6-{4-[2-(3-methoxyoxetan-3-yl)-4-methylpyridin-3-yl]piperidin-1-yl}-2-(trifluoromethyl)pyrimidin-4-yl]-2-methylazetidin-3-yl}piperazin-1-yl)propan-1-one
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
AM-8719, bound form
Formula
Standard InChI
InChI=1S/C31H42F3N7O3/c1-5-26(42)40-14-12-38(13-15-40)23-17-41(21(23)3)25-16-24(36-29(37-25)31(32,33)34)39-10-7-22(8-11-...Show more
Standard InChI Key
VKHKDCAORBYSMD-FYYLOGMGSA-N
SMILES
CCC(=O)N1CCN(CC1)[C@@H]2CN([C@@H]2C)c3cc(nc(n3)C(F)(F)F)N4CC...Show more
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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