C16 H16 N6 O2
A1AI6
N-(4-methyl-3,4-dihydro-2H-1,4-benzoxazin-5-yl)-N'-(1H-pyrazolo[3,4-b]pyridin-5-yl)urea
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
N-(4-methyl-3,4-dihydro-2H-1,4-benzoxazin-5-yl)-N'-(1H-pyraz...Show more
Formula
Standard InChI
InChI=1S/C16H16N6O2/c1-22-5-6-24-13-4-2-3-12(14(13)22)20-16(23)19-11-7-10-8-18-21-15(10)17-9-11/h2-4,7-9H,5-6H2,1H3,(H,1...Show more
Standard InChI Key
WLZQKSBJGIMOOB-UHFFFAOYSA-N
SMILES
CN1CCOc2c1c(ccc2)NC(=O)Nc3cc4cn[nH]c4nc3
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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