C24 H21 N7 O2
A1IXD
~{N}-methyl-4-[5-(2-methyl-1-oxidanylidene-isoquinolin-4-yl)-3-(pyrazol-1-ylmethyl)-1,2,4-triazol-1-yl]benzamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
~{N}-methyl-4-[5-(2-methyl-1-oxidanylidene-isoquinolin-4-yl)...Show more
Formula
Standard InChI
InChI=1S/C24H21N7O2/c1-25-23(32)16-8-10-17(11-9-16)31-22(27-21(28-31)15-30-13-5-12-26-30)20-14-29(2)24(33)19-7-4-3-6-18(...Show more
Standard InChI Key
GBJNLMVRTVMVRZ-UHFFFAOYSA-N
SMILES
CNC(=O)c1ccc(cc1)n2c(nc(n2)Cn3cccn3)C4=CN(C(=O)c5c4cccc5)C
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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