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canSAR840717
FEATURES
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NAMES
    SMILES
    CC1=CC(=O)O/C1=C\C=C(/C)CC[C@@H]1[C@@]2(C)CCC[C@@]3(C)C(O)O[C@@H](C[C@@]1(C)O)[C@H]23
    InChI
    InChI=1S/C25H36O5/c1-15(7-9-17-16(2)13-20(26)29-17)8-10-19-23(3)11-6-12-24(4)21(23)18(30-22(24)27)14-25(19,5)28/h7,9,13,18-19,21-22,27-28H,6,8,10-12,14H2,1-5H3/b15-7+,17-9-/t18-,19+,21+,22?,23+,24+,25+/m0/s1
    MOLECULAR FORMULA
    C25H36O5
    CROSS REFERENCES
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    canSAR840717

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 416.26
    AlogP 4.40
    HBond donors 2
    HBond acceptors 5
    Atoms 66
    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 canSAR840717.