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canSAR779703
FEATURES
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NAMES
    SMILES
    OC(COc1ccc(Cc2ccc(OCC(O)COc3ccc4c(c3)[C@@]35CCCC[C@H]3[C@@H](C4)N(CC3CCC3)CC5)cc2)cc1)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3
    InChI
    InChI=1S/C61H78N2O6/c64-48(40-68-52-23-17-46-32-58-54-11-1-3-25-60(54,56(46)34-52)27-29-62(58)36-44-7-5-8-44)38-66-50-19-13-42(14-20-50)31-43-15-21-51(22-16-43)67-39-49(65)41-69-53-24-18-47-33-59-55-12-2-4-26-61(55,57(47)35-53)28-30-63(59)37-45-9-6-10-45/h13-24,34-35,44-45,48-49,54-55,58-59,64-65H,1-12,25-33,36-41H2/t48?,49?,54-,55-,58+,59+,60+,61+/m0/s1
    MOLECULAR FORMULA
    C61H78N2O6
    CROSS REFERENCES
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    canSAR779703

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 934.59
    AlogP 10.63
    HBond donors 2
    HBond acceptors 8
    Atoms 147
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR779703.