C26 H19 F6 N3 O2
A1CZX
N-(4-{2-[2,4-bis(trifluoromethyl)phenyl]-N-phenylacetamido}but-2-yn-1-yl)pyridine-3-carboxamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
N-(4-{2-[2,4-bis(trifluoromethyl)phenyl]-N-phenylacetamido}b...Show more
Formula
Standard InChI
InChI=1S/C26H19F6N3O2/c27-25(28,29)20-11-10-18(22(16-20)26(30,31)32)15-23(36)35(21-8-2-1-3-9-21)14-5-4-13-34-24(37)19-7-...Show more
Standard InChI Key
KCIABWFZOQITRU-UHFFFAOYSA-N
SMILES
c1ccc(cc1)N(CC#CCNC(=O)c2cccnc2)C(=O)Cc3ccc(cc3C(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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