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canSAR1407112
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NAMES
    SMILES
    CC(C)(C)C1CCC(=NNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1
    InChI
    InChI=1S/C16H24N4O4S/c1-16(2,3)11-4-6-12(7-5-11)18-19-14-9-8-13(25(17,23)24)10-15(14)20(21)22/h8-11,19H,4-7H2,1-3H3,(H2,17,23,24)/b18-12-
    MOLECULAR FORMULA
    C16H24N4O4S
    CROSS REFERENCES
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    canSAR1407112

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 368.15
    AlogP 3.25
    HBond donors 3
    HBond acceptors 8
    Atoms 49
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1407112.