C25 H24 Cl F3 N4 O2
A1IX9
~{N}-[(1~{S})-1-(2-chloranyl-6-fluoranyl-phenyl)ethyl]-4-fluoranyl-1-[2-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]carbonyl-piperidine-4-carboxamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
~{N}-[(1~{S})-1-(2-chloranyl-6-fluoranyl-phenyl)ethyl]-4-flu...Show more
Formula
Standard InChI
InChI=1S/C25H24ClF3N4O2/c1-15(22-19(26)4-3-5-21(22)28)31-24(35)25(29)8-10-33(11-9-25)23(34)18-12-16(6-7-20(18)27)17-13-3...Show more
Standard InChI Key
HLEDGKCLFTZSGP-HNNXBMFYSA-N
SMILES
C[C@@H](c1c(cccc1Cl)F)NC(=O)C2(CCN(CC2)C(=O)c3cc(ccc3F)c4cnn...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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