C20 H21 F3 N4 O4
WI0
6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-3-(2-ethoxyethyl)-5-methyl-2-(trifluoromethyl)quinazolin-4-one
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
We have redesigned this page to enhance your experience. Take an on-page tour.
Synonyms
6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-3-(2-ethoxy...Show more
Formula
Standard InChI
InChI=1S/C20H21F3N4O4/c1-5-31-9-8-27-18(30)14-10(2)12(6-7-13(14)24-19(27)20(21,22)23)16(28)15-11(3)25-26(4)17(15)29/h6-7...Show more
Standard InChI Key
YTKGFNXRPGYQGU-UHFFFAOYSA-N
SMILES
CCOCCN1C(=O)c2c(c(ccc2N=C1C(F)(F)F)C(=O)c3c(nn(c3O)C)C)C
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.
Displayed: 1 / 2