C20 H28 N6 O4
VZF
2-[bis(2-hydroxyethyl)amino]-6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-7~{H}-purin-8-one
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
2-[bis(2-hydroxyethyl)amino]-6-[(4-methoxyphenyl)methylamino...Show more
Formula
Standard InChI
InChI=1S/C20H28N6O4/c1-13(2)26-18-16(22-20(26)29)17(21-12-14-4-6-15(30-3)7-5-14)23-19(24-18)25(8-10-27)9-11-28/h4-7,13,2...Show more
Standard InChI Key
PNROCVKVRSRTPH-UHFFFAOYSA-N
SMILES
CC(C)N1c2c(c(nc(n2)N(CCO)CCO)NCc3ccc(cc3)OC)NC1=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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