C20 H14 Br F2 N3 O2 S
A1AFT
(5M)-5-(3-bromo-4-fluorophenyl)-6-ethynyl-3-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4(3H)-one
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(5M)-5-(3-bromo-4-fluorophenyl)-6-ethynyl-3-[2-(3-fluoro-3-m...Show more
Formula
Standard InChI
InChI=1S/C20H14BrF2N3O2S/c1-3-14-16(11-4-5-13(22)12(21)6-11)17-18(29-14)24-10-25(19(17)28)7-15(27)26-8-20(2,23)9-26/h1,4...Show more
Standard InChI Key
YKNBSYYYBWQJQW-UHFFFAOYSA-N
SMILES
CC1(CN(C1)C(=O)CN2C=Nc3c(c(c(s3)C#C)c4ccc(c(c4)Br)F)C2=O)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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