C23 H30 F3 N7 O S
A1DI3
1-[4-(1-{6-[4-(1,3-thiazol-2-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-(1,3-thiazol-2-yl)piperidin-1-yl]-2-(trifluoro...Show more
Formula
Standard InChI
InChI=1S/C23H30F3N7OS/c1-2-20(34)32-10-8-30(9-11-32)17-14-33(15-17)19-13-18(28-22(29-19)23(24,25)26)31-6-3-16(4-7-31)21-...Show more
Standard InChI Key
HKZGSCKVAXLGEZ-UHFFFAOYSA-N
SMILES
CCC(=O)N1CCN(CC1)C2CN(C2)c3cc(nc(n3)C(F)(F)F)N4CCC(CC4)c5ncc...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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