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canSAR931839
FEATURES
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NAMES
    SMILES
    CCC(O)(CC)CS[C@@H](C)C1=CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C
    InChI
    InChI=1S/C26H42O3S/c1-5-26(29,6-2)17-30-18(3)23-11-12-24-20(8-7-13-25(23,24)4)10-9-19-14-21(27)16-22(28)15-19/h9-11,18,21-22,24,27-29H,5-8,12-17H2,1-4H3/b20-10+/t18-,21+,22+,24-,25+/m0/s1
    MOLECULAR FORMULA
    C26H42O3S
    CROSS REFERENCES
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    canSAR931839

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 434.29
    AlogP 5.55
    HBond donors 3
    HBond acceptors 3
    Atoms 72
    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 canSAR931839.