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HIT219136934
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HIT219136934
  • HIT ID:HIT219136934
  • Cas No:3055472-38-0
  • 常用名:CPD-39
  • IUPAC:2-{[6-(2-{4-[6-({6-acetyl-8-cyclopentyl-5-methyl-7-oxo-7H,8H-pyrido[2,3-d]pyrimidin-2-yl}amino)pyridin-3-yl]piperazin-1-yl}acetamido)spiro[3.3]heptan-2-yl]amino}-N-[6-(dimethylamino)pyridazin-3-yl]-6-(methylamino)pyridine-3-carboxamide
    IUPAC:2-{[6-(2-{4-[6-({6-acetyl-8-cyclopentyl-5-methyl-7-oxo-7H,8H-pyrido[2,3-d]pyrimidin-2-yl}amino)pyridin-3-yl]piperazin-1-yl}acetamido)spiro[3.3]heptan-2-yl]amino}-N-[6-(dimethylamino)pyridazin-3-yl]-6-(methylamino)pyridine-3-carboxamide
  • InChI key:ZVHGFCVLCZHERI-UHFFFAOYSA-N
  • 分子式:C46H57N15O4
  • 分子量:884.063
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CNc1ccc(C(=O)Nc2ccc(nn2)N(C)C)c(NC2CC3(CC(C3)NC(=O)CN3CCN(CC3)c3ccc(Nc4ncc5c(C)c(C(C)=O)c(=O)n(C6CCCC6)c5n4)nc3)C2)n1
    SMILES:CNc1ccc(C(=O)Nc2ccc(nn2)N(C)C)c(NC2CC3(CC(C3)NC(=O)CN3CCN(CC3)c3ccc(Nc4ncc5c(C)c(C(C)=O)c(=O)n(C6CCCC6)c5n4)nc3)C2)n1
  • CPD-39,一种具口服活性的有效CCND1和CDK4双功能PROTAC降解剂,展现出抗增殖效果。
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