C32 H36 N4 O5
A1ARC
(3Z)-3-[(4-{[(2S)-2-hydroxy-2-(oxan-4-yl)ethyl]carbamoyl}-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-N-[(1R)-1-phenylethyl]-3,7-dihydro-2H-indole-5-carboxamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(3Z)-3-[(4-{[(2S)-2-hydroxy-2-(oxan-4-yl)ethyl]carbamoyl}-3,...Show more
Formula
Standard InChI
InChI=1S/C32H36N4O5/c1-18-27(34-20(3)29(18)32(40)33-17-28(37)22-11-13-41-14-12-22)16-25-24-15-23(9-10-26(24)36-31(25)39)...Show more
Standard InChI Key
ZZTIMXSGQZCALR-SKWDJENRSA-N
SMILES
Cc1c([nH]c(c1C(=O)NC[C@H](C2CCOCC2)O)C)/C=C\3/C4=CC(=CCC4=NC...Show more
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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