C24 H32 F3 N7 O S
A1DI5
1-[4-(1-{6-[4-(4-methyl-1,3-thiazol-5-yl)piperidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl}azetidin-3-yl)piperazin-1-yl]propan-1-one
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
1-[4-(1-{6-[4-(4-methyl-1,3-thiazol-5-yl)piperidin-1-yl]-2-(...Show more
Formula
Standard InChI
InChI=1S/C24H32F3N7OS/c1-3-21(35)33-10-8-31(9-11-33)18-13-34(14-18)20-12-19(29-23(30-20)24(25,26)27)32-6-4-17(5-7-32)22-...Show more
Standard InChI Key
UPXYEMSYTVVJEZ-UHFFFAOYSA-N
SMILES
CCC(=O)N1CCN(CC1)C2CN(C2)c3cc(nc(n3)C(F)(F)F)N4CCC(CC4)c5c(n...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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