C19 H24 F N3
A1IB2
~{N}-[(3-fluorophenyl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]aniline
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
~{N}-[(3-fluorophenyl)methyl]-4-[(4-methylpiperazin-1-yl)met...Show more
Formula
Standard InChI
InChI=1S/C19H24FN3/c1-22-9-11-23(12-10-22)15-16-5-7-19(8-6-16)21-14-17-3-2-4-18(20)13-17/h2-8,13,21H,9-12,14-15H2,1H3
Standard InChI Key
JPTKUCQNUDNVOG-UHFFFAOYSA-N
SMILES
CN1CCN(CC1)Cc2ccc(cc2)NCc3cccc(c3)F
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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