C29 H22 N2 O6
1XT
5-(4-{[4-(5-carboxyfuran-2-yl)benzyl]oxy}phenyl)-1-(3-methylphenyl)-1H-pyrazole-3-carboxylic acid
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
5-(4-{[4-(5-carboxyfuran-2-yl)benzyl]oxy}phenyl)-1-(3-methyl...Show more
Formula
Standard InChI
InChI=1S/C29H22N2O6/c1-18-3-2-4-22(15-18)31-25(16-24(30-31)28(32)33)20-9-11-23(12-10-20)36-17-19-5-7-21(8-6-19)26-13-14-...Show more
Standard InChI Key
ZSLZQFLXJWWMLW-UHFFFAOYSA-N
SMILES
Cc1cccc(c1)n2c(cc(n2)C(=O)O)c3ccc(cc3)OCc4ccc(cc4)c5ccc(o5)C...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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