C23 H23 N3 O3 S
S1R
~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4-phenoxy-oxane-4-carboxamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
We have redesigned this page to enhance your experience. Take an on-page tour.
Synonyms
~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4-phenoxy-oxan...Show more
Formula
Standard InChI
InChI=1S/C23H23N3O3S/c24-21(25)20-14-17(15-30-20)16-5-4-6-18(13-16)26-22(27)23(9-11-28-12-10-23)29-19-7-2-1-3-8-19/h1-8,...Show more
Standard InChI Key
AZHQFGHZSPYKRK-UHFFFAOYSA-N
SMILES
[H]/N=C(/c1cc(cs1)c2cccc(c2)NC(=O)C3(CCOCC3)Oc4ccccc4)\N
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.
Displayed: 1 / 2