C33 H30 Cl2 F3 N3 O6
A1IP1
4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]benzoic acid
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
We have redesigned this page to enhance your experience. Take an on-page tour.
Synonyms
4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carb...Show more
Formula
Standard InChI
InChI=1S/C33H30Cl2F3N3O6/c1-32(2,3)47-31(45)40-13-11-18(12-14-40)17-46-26-15-19(30(43)44)7-9-21(26)28-22-16-20(34)8-10-2...Show more
Standard InChI Key
PZSJSVHBQVEBOM-UHFFFAOYSA-N
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)COc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5c(...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.
Displayed: 1 / 2