Name: N-(m-PEG4)-3,3-Dimethyl-3H-indole-N'-(acid-PEG3)-benzothiazole
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HIT ID:HIT212668083
Cas No:
常用名:N-(m-PEG4)-3,3-Dimethyl-3H-indole-N'-(acid-PEG3)-benzothiazole
常用名:N-(m-PEG4)-3,3-Dimethyl-3H-indole-N'-(acid-PEG3)-benzothiazole
IUPAC:2-[(1E,3E)-5-[(2Z)-3-(2-{2-[2-(2-carboxyethoxy)ethoxy]ethoxy}ethyl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]penta-1,3-dien-1-yl]-3,3-dimethyl-1-(2,5,8,11-tetraoxatridecan-13-yl)-3H-indol-1-ium chloride
IUPAC:2-[(1E,3E)-5-[(2Z)-3-(2-{2-[2-(2-carboxyethoxy)ethoxy]ethoxy}ethyl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]penta-1,3-dien-1-yl]-3,3-dimethyl-1-(2,5,8,11-tetraoxatridecan-13-yl)-3H-indol-1-ium chloride
InChI key:GWPPKGRUDZLUML-UHFFFAOYSA-N

分子式:C40H55ClN2O9S
分子量:775.4
氢键供体数 (HBD):1
氢键受体数 (HBA):10
LogP:3.0281775
SMILES:[Cl-].COCCOCCOCCOCC[N+]1=C(\C=C\C=C\C=C2/Sc3ccccc3N2CCOCCOCCOCCC(O)=O)C(C)(C)c2ccccc12 |c:13|
SMILES:[Cl-].COCCOCCOCCOCC[N+]1=C(\C=C\C=C\C=C2/Sc3ccccc3N2CCOCCOCCOCCC(O)=O)C(C)(C)c2ccccc12 |c:13|

N-(m-PEG4)-3,3-Dimethyl-3H-indole-N'-(acid-PEG3)-benzothiazole is a PEG-based PROTAC linker suitable for synthesizing PROTACs[1].

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