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HIT214322560
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HIT214322560
  • HIT ID:HIT214322560
  • Cas No:1440755-31-6
  • 常用名:Atrovastatin-PEG3-FITC
  • 别名:Atrovastatin-PEG3-FITC
  • IUPAC:1-[(3R,5R)-6-({3-[2-(2-{3-[({3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl}carbamothioyl)amino]propoxy}ethoxy)ethoxy]propyl}carbamoyl)-3,5-dihydroxyhexyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-(propan-2-yl)-1H-pyrrole-3-carboxamide
    IUPAC:1-[(3R,5R)-6-({3-[2-(2-{3-[({3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl}carbamothioyl)amino]propoxy}ethoxy)ethoxy]propyl}carbamoyl)-3,5-dihydroxyhexyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-(propan-2-yl)-1H-pyrrole-3-carboxamide
  • InChI key:WHWNHUTWCMCCLV-YYACYCFASA-N
  • 分子式:C64H68FN5O12S
  • 分子量:1150.33
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)NCCCOCCOCCOCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)-c1ccccc1
    SMILES:CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)NCCCOCCOCCOCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)-c1ccccc1
  • Atrovastatin-PEG3-FITC (compound S31) functions as a ligand in fluorescence anisotropy assay. Its primary role is as a KRAS-PDEδ interaction inhibitor.
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