C21 H26 N6 O3
XSH
~{N}-[(2~{R})-1-[4-[[2,4-bis(azanyl)quinazolin-5-yl]oxymethyl]piperidin-1-yl]-1-oxidanylidene-pent-4-yn-2-yl]ethanamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
~{N}-[(2~{R})-1-[4-[[2,4-bis(azanyl)quinazolin-5-yl]oxymethy...Show more
Formula
Standard InChI
InChI=1S/C21H26N6O3/c1-3-5-16(24-13(2)28)20(29)27-10-8-14(9-11-27)12-30-17-7-4-6-15-18(17)19(22)26-21(23)25-15/h1,4,6-7,...Show more
Standard InChI Key
KEUMDTOQJJKEPR-MRXNPFEDSA-N
SMILES
CC(=O)N[C@H](CC#C)C(=O)N1CCC(CC1)COc2cccc3c2c(nc(n3)N)N
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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