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canSAR792428
FEATURES
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NAMES
    SMILES
    C[C@H]1CO[C@]2(C)Oc3c(c4c(c5c3C[C@@H]3[C@@H](C)CO[C@]3(C)O5)C[C@@H]3[C@@H](C)CO[C@]3(C)O4)C[C@H]12
    InChI
    InChI=1S/C27H36O6/c1-13-10-28-25(4)19(13)7-16-22(31-25)17-8-20-14(2)12-30-27(20,6)33-24(17)18-9-21-15(3)11-29-26(21,5)32-23(16)18/h13-15,19-21H,7-12H2,1-6H3/t13-,14-,15-,19+,20+,21+,25+,26+,27+/m0/s1
    MOLECULAR FORMULA
    C27H36O6
    CROSS REFERENCES
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    canSAR792428

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 456.25
    AlogP 4.49
    HBond donors 0
    HBond acceptors 6
    Atoms 69
    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 canSAR792428.