C18 H15 N O4
DBW
4,14-dihydro-8H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline-9,10-diol
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
4,14-dihydro-8H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoli...Show more
Formula
Standard InChI
InChI=1S/C18H15NO4/c20-15-2-1-10-5-14-12-7-17-16(22-9-23-17)6-11(12)3-4-19(14)8-13(10)18(15)21/h1-5,20-21H,6-9H2
Standard InChI Key
LCTIMSLMTIKISI-UHFFFAOYSA-N
SMILES
c1cc(c(c2c1C=C3C4=C(CC5=C(C4)OCO5)C=CN3C2)O)O
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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