C21 H19 Br N2 O5
V19
4-(4-bromophenyl)-2-[[(2~{R},3~{R},4~{R})-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2~{H}-pyran-4-yl]oxymethyl]phthalazin-1-one
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
4-(4-bromophenyl)-2-[[(2~{R},3~{R},4~{R})-2-(hydroxymethyl)-...Show more
Formula
Standard InChI
InChI=1S/C21H19BrN2O5/c22-14-7-5-13(6-8-14)19-15-3-1-2-4-16(15)21(27)24(23-19)12-29-17-9-10-28-18(11-25)20(17)26/h1-10,1...Show more
Standard InChI Key
NMCPEIVYVRUQEU-QWFCFKBJSA-N
SMILES
c1ccc2c(c1)C(=NN(C2=O)CO[C@@H]3C=CO[C@@H]([C@@H]3O)CO)c4ccc(...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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