C25 H35 F3 N8 O
A1DI6
1-[4-(1-{6-[4-(1,4-dimethyl-1H-pyrazol-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-(1,4-dimethyl-1H-pyrazol-5-yl)piperidin-1-yl]-...Show more
Formula
Standard InChI
InChI=1S/C25H35F3N8O/c1-4-22(37)35-11-9-33(10-12-35)19-15-36(16-19)21-13-20(30-24(31-21)25(26,27)28)34-7-5-18(6-8-34)23-...Show more
Standard InChI Key
KLEUXEQTGYYFSI-UHFFFAOYSA-N
SMILES
CCC(=O)N1CCN(CC1)C2CN(C2)c3cc(nc(n3)C(F)(F)F)N4CCC(CC4)c5c(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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