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canSAR352174
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NAMES
    SMILES
    COc1ccc(CCCCCCCCOc2ccc(C[S+]([O-])c3cccc(OC)c3)nc2/C=C/C(=O)O)cc1
    InChI
    InChI=1S/C31H37NO6S/c1-36-26-16-13-24(14-17-26)10-7-5-3-4-6-8-21-38-30-19-15-25(32-29(30)18-20-31(33)34)23-39(35)28-12-9-11-27(22-28)37-2/h9,11-20,22H,3-8,10,21,23H2,1-2H3,(H,33,34)/b20-18+
    MOLECULAR FORMULA
    C31H37NO6S
    CROSS REFERENCES
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    canSAR352174

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 551.23
    AlogP 6.47
    HBond donors 1
    HBond acceptors 7
    Atoms 76
    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 canSAR352174.