C20 H14 F3 N3 O2
A1CB2
(3M)-3-(3-ethylisoquinolin-4-yl)-6-(trifluoromethyl)quinazoline-2,4(1H,3H)-dione
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(3M)-3-(3-ethylisoquinolin-4-yl)-6-(trifluoromethyl)quinazol...Show more
Formula
Standard InChI
InChI=1S/C20H14F3N3O2/c1-2-15-17(13-6-4-3-5-11(13)10-24-15)26-18(27)14-9-12(20(21,22)23)7-8-16(14)25-19(26)28/h3-10H,2H2...Show more
Standard InChI Key
YLLKAKJFWXFSFI-UHFFFAOYSA-N
SMILES
CCc1c(c2ccccc2cn1)N3C(=O)c4cc(ccc4NC3=O)C(F)(F)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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