canSAR824030
FEATURES
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NAMES
    SMILES
    C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)C#Cc1ccc(OCCCOCCCOCCCOc2ccc(C#C[C@]3(O)CC[C@H]4[C@@H]5CCc6cc(O)ccc6[C@H]5CC[C@@]43C)cc2)cc1
    InChI
    InChI=1S/C61H72O8/c1-58-28-24-52-50-20-12-46(62)40-44(50)10-18-54(52)56(58)26-32-60(58,64)30-22-42-6-14-48(15-7-42)68-38-4-36-66-34-3-35-67-37-5-39-69-49-16-8-43(9-17-49)23-31-61(65)33-27-57-55-19-11-45-41-47(63)13-21-51(45)53(55)25-29-59(57,61)2/h6-9,12-17,20-21,40-41,52-57,62-65H,3-5,10-11,18-19,24-29,32-39H2,1-2H3/t52-,53-,54-,55-,56+,57+,58+,59+,60+,61+/m1/s1
    MOLECULAR FORMULA
    C61H72O8
    CROSS REFERENCES
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    canSAR824030
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight932.52
    AlogP11.04
    HBond donors4
    HBond acceptors8
    Atoms141
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824030.