C24 H27 Cl F3 N7 O2 S
A1DFY
4-[(1M)-1-{4-[(azetidin-1-yl)methyl]-2-chlorophenyl}-1H-imidazol-4-yl]-N-[1-(methanesulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
4-[(1M)-1-{4-[(azetidin-1-yl)methyl]-2-chlorophenyl}-1H-imid...Show more
Formula
Standard InChI
InChI=1S/C24H27ClF3N7O2S/c1-38(36,37)35-9-5-17(6-10-35)31-23-29-12-18(24(26,27)28)22(32-23)20-14-34(15-30-20)21-4-3-16(1...Show more
Standard InChI Key
OGNKVNWICRQYSK-UHFFFAOYSA-N
SMILES
CS(=O)(=O)N1CCC(CC1)Nc2ncc(c(n2)c3cn(cn3)c4ccc(cc4Cl)CN5CCC5...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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