C29 H31 Cl N2 O5
WEW
(3~{R})-1-[[4-[2-chloranyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-2-methoxy-phenyl]methyl]-~{N}-(2-hydroxyethyl)pyrrolidine-3-carboxamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(3~{R})-1-[[4-[2-chloranyl-3-(2,3-dihydro-1,4-benzodioxin-6-...Show more
Formula
Standard InChI
InChI=1S/C29H31ClN2O5/c1-35-26-15-19(5-6-21(26)17-32-11-9-22(18-32)29(34)31-10-12-33)23-3-2-4-24(28(23)30)20-7-8-25-27(1...Show more
Standard InChI Key
PVCAFYFKPDWOQM-JOCHJYFZSA-N
SMILES
COc1cc(ccc1CN2CC[C@H](C2)C(=O)NCCO)c3cccc(c3Cl)c4ccc5c(c4)OC...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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