C38 H37 F3 N8 O2
A1DEM
(4P)-5-ethynyl-6-fluoro-4-(8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-4-{(1R,5S)-8-[(1-methyl-1H-imidazol-4-yl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(4P)-5-ethynyl-6-fluoro-4-(8-fluoro-2-{[(2R,4R,7aS)-2-fluoro...Show more
Formula
Standard InChI
InChI=1S/C38H37F3N8O2/c1-3-28-31(40)8-5-22-11-27(50)12-29(32(22)28)34-33(41)35-30(14-42-34)36(45-37(44-35)51-20-38-9-4-1...Show more
Standard InChI Key
FIMBGNQQKKTACL-HUWNPGNESA-N
SMILES
Cn1cc(nc1)CN2[C@@H]3CC[C@H]2CN(C3)c4c5cnc(c(c5nc(n4)OC[C@@]6...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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