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canSAR832742
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NAMES
    SMILES
    CO[C@H]1C[C@H](C(=O)O)N(C(=O)CCC(C)C2CCC3C4C(CC[C@]23C)[C@@]2(C)CC[C@@H](O)CC2C[C@@H]4O)C1
    InChI
    InChI=1S/C30H49NO6/c1-17(5-8-26(34)31-16-20(37-4)15-24(31)28(35)36)21-6-7-22-27-23(10-12-30(21,22)3)29(2)11-9-19(32)13-18(29)14-25(27)33/h17-25,27,32-33H,5-16H2,1-4H3,(H,35,36)/t17?,18?,19-,20+,21?,22?,23?,24-,25+,27?,29+,30-/m1/s1
    MOLECULAR FORMULA
    C30H49NO6
    CROSS REFERENCES
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    canSAR832742

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 519.36
    AlogP 4.09
    HBond donors 3
    HBond acceptors 7
    Atoms 86
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR832742.