C28 H32 F N3 O2
USZ
~{N}-(4-~{tert}-butylphenyl)-~{N}-[(1~{R})-2-[2-(3-fluorophenyl)ethylamino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]propanamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
~{N}-(4-~{tert}-butylphenyl)-~{N}-[(1~{R})-2-[2-(3-fluorophe...Show more
Formula
Standard InChI
InChI=1S/C28H32FN3O2/c1-5-25(33)32(24-13-11-22(12-14-24)28(2,3)4)26(21-9-7-16-30-19-21)27(34)31-17-15-20-8-6-10-23(29)18...Show more
Standard InChI Key
KGVPRQJQXHIIJH-AREMUKBSSA-N
SMILES
CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NCCc3cccc(c3...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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