C24 H27 Cl2 F3 N6 O
A1DAP
2-[(3R)-3-(1-{1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl}azetidin-3-yl)piperidin-1-yl]ethan-1-ol
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
FP0116, FLX475, Flx475, F003475, FP-0116, FLX3475, FLX-475, ...Show more
Formula
Standard InChI
InChI=1S/C24H27Cl2F3N6O/c1-14(18-5-4-17(25)9-19(18)26)35-23-21(22(32-35)24(27,28)29)30-10-20(31-23)34-12-16(13-34)15-3-2...Show more
Standard InChI Key
AKSVALRPYDVQBS-CABCVRRESA-N
SMILES
C[C@H](c1ccc(cc1Cl)Cl)n2c3c(c(n2)C(F)(F)F)ncc(n3)N4CC(C4)[C@...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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