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canSAR1617459
FEATURES
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NAMES
    SMILES
    CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2c(O)c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)ccc23)cc1
    InChI
    InChI=1S/C27H26N2O7S2/c1-28(2)20-9-5-17(6-10-20)25(18-7-11-21(12-8-18)29(3)4)26-23-14-13-22(37(31,32)33)15-19(23)16-24(27(26)30)38(34,35)36/h5-16H,1-4H3,(H2,31,32,33,34,35,36)/p+1
    MOLECULAR FORMULA
    C27H27N2O7S2+
    CROSS REFERENCES
    1617459 logo

    canSAR1617459

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 555.13
    AlogP 3.75
    HBond donors 3
    HBond acceptors 9
    Atoms 65
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1617459.