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canSAR1409082
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NAMES
    SMILES
    CCN(CC)c1ccc(C=NNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1
    InChI
    InChI=1S/C18H22N4O4S/c1-4-21(5-2)16-9-7-15(8-10-16)13-19-20-27(25,26)17-11-6-14(3)18(12-17)22(23)24/h6-13,20H,4-5H2,1-3H3
    MOLECULAR FORMULA
    C18H22N4O4S
    CROSS REFERENCES
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    canSAR1409082

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 390.14
    AlogP 3.06
    HBond donors 1
    HBond acceptors 8
    Atoms 49
    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 canSAR1409082.