C16 H18 Br N3 O2 S
H40
~{N}-[4-[2-bromanyl-6-(2-hydroxyethylamino)pyridin-4-yl]sulfanylphenyl]propanamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
~{N}-[4-[2-bromanyl-6-(2-hydroxyethylamino)pyridin-4-yl]sulf...Show more
Formula
Standard InChI
InChI=1S/C16H18BrN3O2S/c1-2-16(22)19-11-3-5-12(6-4-11)23-13-9-14(17)20-15(10-13)18-7-8-21/h3-6,9-10,21H,2,7-8H2,1H3,(H,1...Show more
Standard InChI Key
CBJBUQFOVDHMPS-UHFFFAOYSA-N
SMILES
CCC(=O)Nc1ccc(cc1)Sc2cc(nc(c2)Br)NCCO
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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