C30 H17 Cl2 F3 N2 O6
A1IPU
3-(1,3-benzodioxol-5-ylmethoxy)-4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]benzoic acid
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
3-(1,3-benzodioxol-5-ylmethoxy)-4-[5-chloranyl-1-[2-chlorany...Show more
Formula
Standard InChI
InChI=1S/C30H17Cl2F3N2O6/c31-17-6-8-22-19(12-17)27(36-37(22)28(38)26-20(30(33,34)35)2-1-3-21(26)32)18-7-5-16(29(39)40)11...Show more
Standard InChI Key
IMYWYUCUSTYKTL-UHFFFAOYSA-N
SMILES
c1cc(c(c(c1)Cl)C(=O)n2c3ccc(cc3c(n2)c4ccc(cc4OCc5ccc6c(c5)OC...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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