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canSAR780717
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NAMES
    SMILES
    C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2C(c3ccc(CO)c(CO)c3)=CCC[C@@]21C
    InChI
    InChI=1S/C26H40O3/c1-18(7-5-13-25(2,3)29)23-11-12-24-22(8-6-14-26(23,24)4)19-9-10-20(16-27)21(15-19)17-28/h8-10,15,18,23-24,27-29H,5-7,11-14,16-17H2,1-4H3/t18-,23-,24+,26-/m1/s1
    MOLECULAR FORMULA
    C26H40O3
    CROSS REFERENCES
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    canSAR780717

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 400.30
    AlogP 5.46
    HBond donors 3
    HBond acceptors 3
    Atoms 69
    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 canSAR780717.