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canSAR1014970
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NAMES
    SMILES
    Cc1nn(C)c(C)c1N[S+](=O)([O-])c1ccc(=NCCN2CCN(C(=O)OC(C)(C)C)CC2)[nH]c1
    InChI
    InChI=1S/C22H35N7O4S/c1-16-20(17(2)27(6)25-16)26-34(31,32)18-7-8-19(24-15-18)23-9-10-28-11-13-29(14-12-28)21(30)33-22(3,4)5/h7-8,15H,9-14H2,1-6H3,(H2-,23,24,26,31,32)
    MOLECULAR FORMULA
    C22H35N7O4S
    CROSS REFERENCES
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    canSAR1014970

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 493.25
    AlogP 1.83
    HBond donors 2
    HBond acceptors 11
    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 canSAR1014970.