C30 H17 Cl2 F3 N2 O6
A1IP5
3-[(3-carboxyphenyl)methoxy]-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-[(3-carboxyphenyl)methoxy]-4-[5-chloranyl-1-[2-chloranyl-6...Show more
Formula
Standard InChI
InChI=1S/C30H17Cl2F3N2O6/c31-18-8-10-23-20(13-18)26(36-37(23)27(38)25-21(30(33,34)35)5-2-6-22(25)32)19-9-7-17(29(41)42)1...Show more
Standard InChI Key
XHSUIRBEBQRQNC-UHFFFAOYSA-N
SMILES
c1cc(cc(c1)C(=O)O)COc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5c(cccc5C...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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