C12 H16 N4 O
A1AI8
N-{(1R)-1-[(3R)-oxolan-3-yl]ethyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
N-{(1R)-1-[(3R)-oxolan-3-yl]ethyl}-7H-pyrrolo[2,3-d]pyrimidi...Show more
Formula
Standard InChI
InChI=1S/C12H16N4O/c1-8(9-3-5-17-6-9)16-12-10-2-4-13-11(10)14-7-15-12/h2,4,7-9H,3,5-6H2,1H3,(H2,13,14,15,16)/t8-,9+/m1/s...Show more
Standard InChI Key
ZNTSCEDVMSQTAB-BDAKNGLRSA-N
SMILES
C[C@H]([C@@H]1CCOC1)Nc2c3cc[nH]c3ncn2
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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