C17 H21 N3 O2
Y9F
5-tert-butyl-2-methyl-4-[(6-oxo-1,4,5,6-tetrahydropyridazin-3-yl)methoxy]benzonitrile
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
5-tert-butyl-2-methyl-4-[(6-oxo-1,4,5,6-tetrahydropyridazin-...Show more
Formula
Standard InChI
InChI=1S/C17H21N3O2/c1-11-7-15(14(17(2,3)4)8-12(11)9-18)22-10-13-5-6-16(21)20-19-13/h7-8H,5-6,10H2,1-4H3,(H,20,21)
Standard InChI Key
QTHRCRHQWVPLAE-UHFFFAOYSA-N
SMILES
Cc1cc(c(cc1C#N)C(C)(C)C)OCC2=NNC(=O)CC2
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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