C24 H28 N2 O7
RYK
(5~{R})-5-[(1~{S})-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-~{N}-ethyl-4-methoxy-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(5~{R})-5-[(1~{S})-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-...Show more
Formula
Standard InChI
InChI=1S/C24H28N2O7/c1-5-25-24(27)26-9-8-13-10-17-22(33-12-32-17)23(30-4)18(13)19(26)21-14-6-7-16(28-2)20(29-3)15(14)11-...Show more
Standard InChI Key
VMHFTRMCCSRTML-CTNGQTDRSA-N
SMILES
CCNC(=O)N1CCc2cc3c(c(c2[C@@H]1[C@@H]4c5ccc(c(c5CO4)OC)OC)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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