C17 H19 N5 O2
A1DBD
N-[(1S)-1-(2,3-dihydro[1,4]dioxino[2,3-c]pyridin-7-yl)-2-methylpropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
N-[(1S)-1-(2,3-dihydro[1,4]dioxino[2,3-c]pyridin-7-yl)-2-met...Show more
Formula
Standard InChI
InChI=1S/C17H19N5O2/c1-10(2)15(12-7-13-14(8-19-12)24-6-5-23-13)22-17-11-3-4-18-16(11)20-9-21-17/h3-4,7-10,15H,5-6H2,1-2H...Show more
Standard InChI Key
PJPHOEMFZKBWQW-HNNXBMFYSA-N
SMILES
CC(C)[C@@H](c1cc2c(cn1)OCCO2)Nc3c4cc[nH]c4ncn3
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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