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canSAR1203241
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NAMES
    SMILES
    C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)COC(=O)/C=C/c2ccccc2)[C@@H]1C/C=C1\C=COC1=O
    InChI
    InChI=1S/C29H34O5/c1-20-9-13-24-28(2,23(20)12-11-22-16-18-33-27(22)32)17-15-25(30)29(24,3)19-34-26(31)14-10-21-7-5-4-6-8-21/h4-8,10-11,14,16,18,23-25,30H,1,9,12-13,15,17,19H2,2-3H3/b14-10+,22-11+/t23-,24+,25-,28+,29+/m1/s1
    MOLECULAR FORMULA
    C29H34O5
    CROSS REFERENCES
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    canSAR1203241

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 462.24
    AlogP 5.38
    HBond donors 1
    HBond acceptors 5
    Atoms 68
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1203241.