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HIT217531098
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HIT217531098
  • HIT ID:HIT217531098
  • Cas No:
  • 常用名:methyl 2-(1-{2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl}piperidin-4-ylidene)-4,7-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),3,5,11,13-pentaene-6-carboxylate; trifluoroacetic acid
    常用名:methyl 2-(1-{2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl}piperidin-4-ylidene)-4,7-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),3,5,11,13-pentaene-6-carboxylate; trifluoroacetic acid
  • IUPAC:methyl 2-[1-(2-{4-[(quinolin-2-yl)methoxy]phenyl}ethyl)piperidin-4-ylidene]-4,7-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),3,5,11,13-pentaene-6-carboxylate; trifluoroacetic acid
    IUPAC:methyl 2-[1-(2-{4-[(quinolin-2-yl)methoxy]phenyl}ethyl)piperidin-4-ylidene]-4,7-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),3,5,11,13-pentaene-6-carboxylate; trifluoroacetic acid
  • InChI key:HNKYWSJBVVQKAQ-UHFFFAOYSA-N
  • 分子式:C39H37F3N4O5
  • 分子量:698.743
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:OC(=O)C(F)(F)F.COC(=O)c1cnc2C(=C3CCN(CCc4ccc(OCc5ccc6ccccc6n5)cc4)CC3)c3ccccc3CCn12
    SMILES:OC(=O)C(F)(F)F.COC(=O)c1cnc2C(=C3CCN(CCc4ccc(OCc5ccc6ccccc6n5)cc4)CC3)c3ccccc3CCn12
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