C17 H16 Br N O3
N2X
(3S)-5-bromo-1-[(2-ethoxyphenyl)methyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(3S)-5-bromo-1-[(2-ethoxyphenyl)methyl]-3-hydroxy-1,3-dihydr...Show more
Formula
Standard InChI
InChI=1S/C17H16BrNO3/c1-2-22-15-6-4-3-5-11(15)10-19-14-8-7-12(18)9-13(14)16(20)17(19)21/h3-9,16,20H,2,10H2,1H3/t16-/m0/s...Show more
Standard InChI Key
DDTMARFKTVIEHP-INIZCTEOSA-N
SMILES
CCOc1ccccc1CN2c3ccc(cc3[C@@H](C2=O)O)Br
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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