C11 H14 Cl Cu N3 O2 S
IC4
3-chloranyl-13-methoxy-~{N},~{N}-dimethyl-2-oxa-4$l^{3}-thia-6-aza-7-azonia-3$l^{4}-cupratricyclo[7.4.0.0^{3,7}]trideca-1(9),4,7,10,12-pentaen-5-amine
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
3-chloranyl-13-methoxy-~{N},~{N}-dimethyl-2-oxa-4$l^{3}-thia...Show more
Formula
Standard InChI
InChI=1S/C11H15N3O2S.ClH.Cu/c1-14(2)11(17)13-12-7-8-5-4-6-9(16-3)10(8)15;;/h4-7,15H,1-3H3,(H,13,17);1H;/q;;+3/p-2/b12-7+...Show more
Standard InChI Key
MVDUVFQNDUEMKF-CURPJKDSSA-L
SMILES
CN(C)C1=[S][Cu]2([N+](=Cc3cccc(c3O2)OC)N1)Cl
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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