C27 H15 Cl2 F3 N4 O4
A1IRD
4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-(pyrimidin-2-ylmethoxy)benzoic acid
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carb...Show more
Formula
Standard InChI
InChI=1S/C27H15Cl2F3N4O4/c28-15-6-8-20-17(12-15)24(35-36(20)25(37)23-18(27(30,31)32)3-1-4-19(23)29)16-7-5-14(26(38)39)11...Show more
Standard InChI Key
RDQDRNZBJPMAKJ-UHFFFAOYSA-N
SMILES
c1cc(c(c(c1)Cl)C(=O)n2c3ccc(cc3c(n2)c4ccc(cc4OCc5ncccn5)C(=O...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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