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canSAR832546
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NAMES
    SMILES
    COc1cc(/C=C/c2cc3c(c(OC)c2)O[C@]2(C)CC[C@@H](O)C(C)(C)[C@H]2C3)cc(O)c1CC=C(C)C
    InChI
    InChI=1S/C31H40O5/c1-19(2)8-11-23-24(32)15-21(16-25(23)34-6)10-9-20-14-22-18-27-30(3,4)28(33)12-13-31(27,5)36-29(22)26(17-20)35-7/h8-10,14-17,27-28,32-33H,11-13,18H2,1-7H3/b10-9+/t27-,28-,31-/m1/s1
    MOLECULAR FORMULA
    C31H40O5
    CROSS REFERENCES
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    canSAR832546

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 492.29
    AlogP 6.58
    HBond donors 2
    HBond acceptors 5
    Atoms 76
    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 canSAR832546.