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canSAR784931
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NAMES
    SMILES
    CC1(C)CCC[C@]2(C)C(/C=C/c3ccoc3)C(C)(C3(C)CC(=O)[C@H]4C(C)(C)CCC[C@]4(C)[C@H]3/C=C/c3ccoc3)CC(=O)[C@@H]12
    InChI
    InChI=1S/C40H54O4/c1-35(2)17-9-19-37(5)31(13-11-27-15-21-43-25-27)39(7,23-29(41)33(35)37)40(8)24-30(42)34-36(3,4)18-10-20-38(34,6)32(40)14-12-28-16-22-44-26-28/h11-16,21-22,25-26,31-34H,9-10,17-20,23-24H2,1-8H3/b13-11+,14-12+/t31-,32?,33+,34+,37-,38-,39?,40?/m1/s1
    MOLECULAR FORMULA
    C40H54O4
    CROSS REFERENCES
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    canSAR784931

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 598.40
    AlogP 10.46
    HBond donors 0
    HBond acceptors 4
    Atoms 98
    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 canSAR784931.