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HIT212718260
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HIT212718260
  • HIT ID:HIT212718260
  • Cas No:
  • 常用名:SGC3027N
  • 别名:SGC-3027N, SGC 3027N
  • IUPAC:N-[4-({[(3aS,4S,6R,6aR)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]methyl}sulfanyl)butyl]-N-({4'-chloro-[1,1'-biphenyl]-3-yl}methyl)-3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanamide
    IUPAC:N-[4-({[(3aS,4S,6R,6aR)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]methyl}sulfanyl)butyl]-N-({4'-chloro-[1,1'-biphenyl]-3-yl}methyl)-3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanamide
  • InChI key:FJBPSCVGHZASPG-LJVHFRCJSA-N
  • 分子式:C44H51ClN6O6S
  • 分子量:827.44
  • 氢键供体数 (HBD):1
  • 氢键受体数 (HBA):10
  • LogP:7.7743816
  • SMILES:[H][C@]12OC(C)(C)O[C@@]1([H])[C@@H](O[C@@H]2CSCCCCN(Cc1cccc(c1)-c1ccc(Cl)cc1)C(=O)CC(C)(C)C1=C(C)C(=O)C(C)=C(C)C1=O)n1cnc2c(N)ncnc12 |c:43,t:49|
    SMILES:[H][C@]12OC(C)(C)O[C@@]1([H])[C@@H](O[C@@H]2CSCCCCN(Cc1cccc(c1)-c1ccc(Cl)cc1)C(=O)CC(C)(C)C1=C(C)C(=O)C(C)=C(C)C1=O)n1cnc2c(N)ncnc12 |c:43,t:49|
  • SGC3027N is a negative control for SGC3027 (GLXC-12451).
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