C22 H21 F N6 O4
77N
N-[2-[2-(6-aminopurin-9-yl)ethoxy]ethyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
N-[2-[2-(6-aminopurin-9-yl)ethoxy]ethyl]-5-(4-fluorophenyl)-...Show more
Formula
Standard InChI
InChI=1S/C22H21FN6O4/c23-15-3-1-13(2-4-15)14-9-16(19(31)17(30)10-14)22(32)25-5-7-33-8-6-29-12-28-18-20(24)26-11-27-21(18...Show more
Standard InChI Key
MBDKBZKJWMEJRT-UHFFFAOYSA-N
SMILES
c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCOCCn3cnc4c3ncnc4N)F
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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