C25 H25 N3 O3 S
RB4
ethyl 2-({N-[2-(1H-indol-3-yl)ethyl]glycyl}amino)-4-phenylthiophene-3-carboxylate
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
ethyl 2-({N-[2-(1H-indol-3-yl)ethyl]glycyl}amino)-4-phenylth...Show more
Formula
Standard InChI
InChI=1S/C25H25N3O3S/c1-2-31-25(30)23-20(17-8-4-3-5-9-17)16-32-24(23)28-22(29)15-26-13-12-18-14-27-21-11-7-6-10-19(18)21...Show more
Standard InChI Key
VLWAROLSXORELU-UHFFFAOYSA-N
SMILES
CCOC(=O)c1c(csc1NC(=O)CNCCc2c[nH]c3c2cccc3)c4ccccc4
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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