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HIT219201252
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HIT219201252
  • HIT ID:HIT219201252
  • Cas No:
  • 常用名:BSJ-05-002
  • 别名:BSJ05-002, BSJ-05002, BSJ05002
  • IUPAC:N-methyl-2-({2-[(5-methyl-4-{1-[6-(2-{[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]oxy}acetamido)hexyl]piperidin-4-yl}-2-(propan-2-yloxy)phenyl)amino]-5-(trifluoromethyl)pyridin-4-yl}amino)benzamide
    IUPAC:N-methyl-2-({2-[(5-methyl-4-{1-[6-(2-{[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]oxy}acetamido)hexyl]piperidin-4-yl}-2-(propan-2-yloxy)phenyl)amino]-5-(trifluoromethyl)pyridin-4-yl}amino)benzamide
  • InChI key:VLRGLRRNKZFROM-UHFFFAOYSA-N
  • 分子式:C51H59F3N8O8
  • 分子量:969.076
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CNC(=O)c1ccccc1Nc1cc(Nc2cc(C)c(cc2OC(C)C)C2CCN(CCCCCCNC(=O)COc3cccc4C(=O)N(C5CCC(=O)N(C)C5=O)C(=O)c34)CC2)ncc1C(F)(F)F
    SMILES:CNC(=O)c1ccccc1Nc1cc(Nc2cc(C)c(cc2OC(C)C)C2CCN(CCCCCCNC(=O)COc3cccc4C(=O)N(C5CCC(=O)N(C)C5=O)C(=O)c34)CC2)ncc1C(F)(F)F
  • BSJ-05-002为一种FAK PROTAC。
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