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canSAR842602
FEATURES
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NAMES
    SMILES
    CC(=O)O[C@H]1CC[C@]2(C)C3C[C@@H](O)[C@]4(C)[C@@H](C5=CC(=O)OC5)CC[C@]4(O)C3CC[C@@H]2C1
    InChI
    InChI=1S/C25H36O6/c1-14(26)31-17-6-8-23(2)16(11-17)4-5-19-20(23)12-21(27)24(3)18(7-9-25(19,24)29)15-10-22(28)30-13-15/h10,16-21,27,29H,4-9,11-13H2,1-3H3/t16-,17+,18-,19?,20?,21-,23+,24+,25+/m1/s1
    MOLECULAR FORMULA
    C25H36O6
    CROSS REFERENCES
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    canSAR842602

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 432.25
    AlogP 3.15
    HBond donors 2
    HBond acceptors 6
    Atoms 67
    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 canSAR842602.