C26 H25 I N6 O3 S
A1JLL
~{N}-[4-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]-2-iodanyl-phenyl]-1-methyl-pyrazole-4-carboxamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
~{N}-[4-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyla...Show more
Formula
Standard InChI
InChI=1S/C26H25IN6O3S/c1-16-9-17(2)30-26(29-16)37-15-24(34)31-20-6-4-5-18(10-20)14-36-21-7-8-23(22(27)11-21)32-25(35)19-...Show more
Standard InChI Key
MCPRFXCLTXHJHV-UHFFFAOYSA-N
SMILES
Cc1cc(nc(n1)SCC(=O)Nc2cccc(c2)COc3ccc(c(c3)I)NC(=O)c4cnn(c4)...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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