canSAR1087383
FEATURES
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NAMES
    SMILES
    CC[C@]1(NC(=O)Nc2ccc(F)cc2)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1
    InChI
    InChI=1S/C53H63FN6O9/c1-8-49(57-48(64)55-34-17-15-33(54)16-18-34)27-32-28-52(46(62)67-6,42-36(19-23-59(29-32)30-49)35-13-10-11-14-39(35)56-42)38-25-37-40(26-41(38)66-5)58(4)44-51(37)21-24-60-22-12-20-50(9-2,43(51)60)45(69-31(3)61)53(44,65)47(63)68-7/h10-18,20,25-26,32,43-45,56,65H,8-9,19,21-24,27-30H2,1-7H3,(H2,55,57,64)/t32-,43+,44-,45-,49+,50-,51-,52+,53+/m1/s1
    MOLECULAR FORMULA
    C53H63FN6O9
    CROSS REFERENCES
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    canSAR1087383
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight946.46
    AlogP5.96
    HBond donors4
    HBond acceptors15
    Atoms132
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1087383.