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canSAR1978422
FEATURES
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NAMES
    SMILES
    O=C(NCc1nnc(S)n1-c1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
    InChI
    InChI=1S/C20H20N6O6S2/c27-19(14-1-7-17(8-2-14)34(30,31)24-9-11-32-12-10-24)21-13-18-22-23-20(33)25(18)15-3-5-16(6-4-15)26(28)29/h1-8H,9-13H2,(H,21,27)(H,23,33)
    MOLECULAR FORMULA
    C20H20N6O6S2
    CROSS REFERENCES
    1978422 logo

    canSAR1978422

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 504.09
    AlogP 1.42
    HBond donors 1
    HBond acceptors 12
    Atoms 54
    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 canSAR1978422.