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canSAR1621513
FEATURES
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NAMES
    SMILES
    O=C(C1=COCCO1)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1
    InChI
    InChI=1S/C16H16N4O5S/c21-15(13-10-24-7-8-25-13)18-3-5-19(6-4-18)16-17-12-2-1-11(20(22)23)9-14(12)26-16/h1-2,9-10H,3-8H2
    MOLECULAR FORMULA
    C16H16N4O5S
    CROSS REFERENCES
    1621513 logo

    canSAR1621513

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 376.08
    AlogP 1.74
    HBond donors 0
    HBond acceptors 9
    Atoms 42
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1621513.