C18 H25 N9 O5
78V
4-[2-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]ethylamino]-1-(methoxymethyl)pyrimidin-2-one
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
4-[2-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-b...Show more
Formula
Standard InChI
InChI=1S/C18H25N9O5/c1-31-9-26-5-2-11(25-18(26)30)21-4-3-20-6-10-13(28)14(29)17(32-10)27-8-24-12-15(19)22-7-23-16(12)27/...Show more
Standard InChI Key
ZZOHCVFRIAWCAC-IWCJZZDYSA-N
SMILES
COCN1C=CC(=NC1=O)NCCNC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3n...Show more
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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