C13 H15 F3 N2 O3
A1CS6
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-{[5-(trifluoromethyl)pyridin-2-yl]oxy}ethan-1-one
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-{[5-(trifluorome...Show more
Formula
Standard InChI
InChI=1S/C13H15F3N2O3/c14-13(15,16)9-3-4-11(17-6-9)21-8-12(20)18-5-1-2-10(18)7-19/h3-4,6,10,19H,1-2,5,7-8H2/t10-/m0/s1
Standard InChI Key
OTWVWJFTMWCTMA-JTQLQIEISA-N
SMILES
c1cc(ncc1C(F)(F)F)OCC(=O)N2CCC[C@H]2CO
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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