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canSAR779859
FEATURES
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NAMES
    SMILES
    [2H]O[C@H]1C[C@H](O[2H])CC(/C=C\C2=CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O[2H])=C1C
    InChI
    InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h9-11,18,22-25,28-30H,6-8,12-17H2,1-5H3/b11-10-/t18-,22-,23-,24-,25+,27-/m1/s1/i28D,29D,30D
    MOLECULAR FORMULA
    C27H44O3
    CROSS REFERENCES
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    canSAR779859

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 419.35
    AlogP 5.70
    HBond donors 3
    HBond acceptors 3
    Atoms 74
    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 canSAR779859.