C13 H14 N7 O2 S
A1MFS
[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-3-cyano-pyrrolo[2,3-c]pyridin-1-yl)-3,4-bis(oxidanyl)thiolan-2-yl]methylimino-azanylidene-azanium
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-3-cyano-pyrrolo[2,3-c...Show more
Formula
Standard InChI
InChI=1S/C13H14N7O2S/c14-1-6-5-20(8-3-17-2-7(15)10(6)8)13-12(22)11(21)9(23-13)4-18-19-16/h2-3,5,9,11-13,16,21-22H,4,15H2...Show more
Standard InChI Key
FRRLRNWTFYUYLV-OJAKKHQRSA-N
SMILES
c1c(c2c(cn1)n(cc2C#N)[C@H]3[C@@H]([C@@H]([C@H](S3)CN=[N+]=N)...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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