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HIT212080554
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HIT212080554
  • HIT ID:HIT212080554
  • Cas No:
  • 常用名:HG-7-85-01-Decyclopropane
  • 别名:PROTAC ABL binding moiety 3
  • IUPAC:N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-3-{2-formamido-[1,3]thiazolo[5,4-b]pyridin-5-yl}benzamide
    IUPAC:N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-3-{2-formamido-[1,3]thiazolo[5,4-b]pyridin-5-yl}benzamide
  • InChI key:UTIKCWPCBLCAGJ-UHFFFAOYSA-N
  • 分子式:C28H27F3N6O2S
  • 分子量:568.62
  • 氢键供体数 (HBD):2
  • 氢键受体数 (HBA):6
  • LogP:5.2846565
  • SMILES:CCN1CCN(Cc2ccc(NC(=O)c3cccc(c3)-c3ccc4nc(NC=O)sc4n3)cc2C(F)(F)F)CC1
    SMILES:CCN1CCN(Cc2ccc(NC(=O)c3cccc(c3)-c3ccc4nc(NC=O)sc4n3)cc2C(F)(F)F)CC1
  • Decyclopropane, also known as HG-7-85-01, is a chemical compound with ABL inhibitor properties. It binds to the IAP ligand through a linker, resulting in the formation of SNIPER [1].
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