C21 H23 F N4 O4 S2
8WM
(2S)-2-[4-(cyclopropylsulfonyl)-1H-indazol-1-yl]-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(2S)-2-[4-(cyclopropylsulfonyl)-1H-indazol-1-yl]-N-(5-fluoro...Show more
Formula
Standard InChI
InChI=1S/C21H23FN4O4S2/c22-19-12-23-21(31-19)25-20(27)17(10-13-6-8-30-9-7-13)26-16-2-1-3-18(15(16)11-24-26)32(28,29)14-4...Show more
Standard InChI Key
VFUKAAVEACENGY-KRWDZBQOSA-N
SMILES
c1cc2c(cnn2[C@@H](CC3CCOCC3)C(=O)Nc4ncc(s4)F)c(c1)S(=O)(=O)C...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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