C13 H12 F3 N O3
A1CPX
3-hydroxypropyl 6-(trifluoromethyl)-1H-indole-2-carboxylate
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
3-hydroxypropyl 6-(trifluoromethyl)-1H-indole-2-carboxylate
Formula
Standard InChI
InChI=1S/C13H12F3NO3/c14-13(15,16)9-3-2-8-6-11(17-10(8)7-9)12(19)20-5-1-4-18/h2-3,6-7,17-18H,1,4-5H2
Standard InChI Key
WXVMGINMHSGYSS-UHFFFAOYSA-N
SMILES
c1cc(cc2c1cc([nH]2)C(=O)OCCCO)C(F)(F)F
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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