C28 H21 Cl2 F3 N2 O5
A1IPX
4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-[[(2~{S})-oxan-2-yl]methoxy]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/C28H21Cl2F3N2O5/c29-16-8-10-22-19(13-16)25(34-35(22)26(36)24-20(28(31,32)33)5-3-6-21(24)30)18-9-7-15(27(37)38)1...Show more
Standard InChI Key
PAPIROLETHZWSC-KRWDZBQOSA-N
SMILES
c1cc(c(c(c1)Cl)C(=O)n2c3ccc(cc3c(n2)c4ccc(cc4OC[C@@H]5CCCCO5...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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