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canSAR1952938
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NAMES
    SMILES
    CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)O)cc3S(=O)(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1
    InChI
    InChI=1S/C27H30N2O7S2/c1-5-28(6-2)18-9-12-21-24(15-18)36-25-16-19(29(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(30,31)32)17-26(23)38(33,34)35/h9-17H,5-8H2,1-4H3,(H-,30,31,32,33,34,35)/p+1
    MOLECULAR FORMULA
    C27H31N2O7S2+
    CROSS REFERENCES
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    canSAR1952938

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 559.16
    AlogP 4.36
    HBond donors 2
    HBond acceptors 9
    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 canSAR1952938.