C21 H14 F4 N6 O2
3WR
1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8(5H)-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8(5H)-yl)phenyl]-3...Show more
Formula
Standard InChI
InChI=1S/C21H14F4N6O2/c22-14-6-1-11(21(23,24)25)9-15(14)30-20(33)29-12-2-4-13(5-3-12)31-8-7-16(32)17-18(26)27-10-28-19(1...Show more
Standard InChI Key
OWKPAZCWJGPSQU-UHFFFAOYSA-N
SMILES
c1cc(ccc1NC(=O)Nc2cc(ccc2F)C(F)(F)F)N3C=CC(=O)c4c3ncnc4N
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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