C21 H16 N2 O4
W73
2,6-dioxo-5-[2-(phenanthren-9-yl)ethyl]-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
2,6-dioxo-5-[2-(phenanthren-9-yl)ethyl]-1,2,3,6- tetrahydrop...Show more
Formula
Standard InChI
InChI=1S/C21H16N2O4/c24-19-17(18(20(25)26)22-21(27)23-19)10-9-13-11-12-5-1-2-6-14(12)16-8-4-3-7-15(13)16/h1-8,11H,9-10H2...Show more
Standard InChI Key
ALPWFSMWGPSLIH-UHFFFAOYSA-N
SMILES
c1ccc2c(c1)cc(c3c2cccc3)CCC4=C(NC(=O)NC4=O)C(=O)O
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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