C21 H30 N6 O3
WFA
1-[2-({3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propyl}amino)phenyl]piperidine-4-carboxylic acid
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
1-[2-({3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propyl}amin...Show more
Formula
Standard InChI
InChI=1S/C21H30N6O3/c1-2-15-18(19(22)26-21(23)25-15)30-13-5-10-24-16-6-3-4-7-17(16)27-11-8-14(9-12-27)20(28)29/h3-4,6-7,...Show more
Standard InChI Key
BQWZFCKKSJTQAP-UHFFFAOYSA-N
SMILES
CCc1c(c(nc(n1)N)N)OCCCNc2ccccc2N3CCC(CC3)C(=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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