C18 H17 F6 N5 O2
XW2
5-(1-acetylpiperidin-4-yl)-4-{(E)-[3,5-bis(trifluoromethyl)phenyl]diazenyl}-1,2-dihydro-3H-pyrazol-3-one
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
5-(1-acetylpiperidin-4-yl)-4-{(E)-[3,5-bis(trifluoromethyl)p...Show more
Formula
Standard InChI
InChI=1S/C18H17F6N5O2/c1-9(30)29-4-2-10(3-5-29)14-15(16(31)28-26-14)27-25-13-7-11(17(19,20)21)6-12(8-13)18(22,23)24/h6-8...Show more
Standard InChI Key
FTZTXTWTLRLQHR-IMVLJIQESA-N
SMILES
CC(=O)N1CCC(CC1)C2=C(C(=O)NN2)/N=N/c3cc(cc(c3)C(F)(F)F)C(F)(...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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