C21 H19 N5 O S
XM9
N-(3-{(1S)-1-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl}phenyl)isoquinoline-3-carboxamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
N-(3-{(1S)-1-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl...Show more
Formula
Standard InChI
InChI=1S/C21H19N5OS/c1-14(28-21-25-23-13-26(21)2)15-8-5-9-18(10-15)24-20(27)19-11-16-6-3-4-7-17(16)12-22-19/h3-14H,1-2H3...Show more
Standard InChI Key
ISYOOTUPLKWBDU-AWEZNQCLSA-N
SMILES
C[C@@H](c1cccc(c1)NC(=O)c2cc3ccccc3cn2)Sc4nncn4C
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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