C25 H27 Br N8
QWR
2-[[4-(6-bromanyl-2~{H}-indazol-4-yl)-1,2,3-triazol-1-yl]methyl]-6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
2-[[4-(6-bromanyl-2~{H}-indazol-4-yl)-1,2,3-triazol-1-yl]met...Show more
Formula
Standard InChI
InChI=1S/C25H27BrN8/c1-25(2)5-7-32(8-6-25)12-17-3-4-24-28-19(14-33(24)13-17)15-34-16-23(30-31-34)20-9-18(26)10-22-21(20)...Show more
Standard InChI Key
RXIOMUYKKTZDFQ-UHFFFAOYSA-N
SMILES
CC1(CCN(CC1)Cc2ccc3nc(cn3c2)Cn4cc(nn4)c5cc(cc6c5c[nH]n6)Br)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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