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HIT212668110
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HIT212668110
  • HIT ID:HIT212668110
  • Cas No:2107273-22-1
  • 常用名:N-Methyl-N'-(hydroxy-PEG2)-Cy5
  • IUPAC:1-{2-[2-(2-hydroxyethoxy)ethoxy]ethyl}-3,3-dimethyl-2-[(1E,3E)-5-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl]-3H-indol-1-ium chloride
    IUPAC:1-{2-[2-(2-hydroxyethoxy)ethoxy]ethyl}-3,3-dimethyl-2-[(1E,3E)-5-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl]-3H-indol-1-ium chloride
  • InChI key:NEMABWCDKYHROP-UHFFFAOYSA-M
  • 分子式:C32H41ClN2O3
  • 分子量:537.14
  • 氢键供体数 (HBD):1
  • 氢键受体数 (HBA):4
  • LogP:2.7731078
  • SMILES:[Cl-].CN1\C(=C\C=C\C=C\C2=[N+](CCOCCOCCO)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:8|
    SMILES:[Cl-].CN1\C(=C\C=C\C=C\C2=[N+](CCOCCOCCO)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:8|
  • N-Methyl-N'-(hydroxy-PEG2)-Cy5 is a PEG-based linker utilized for the synthesis of PROTACs. It serves as a chemical compound with the ability to facilitate the formation of PROTACs[1].
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