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canSAR1687743
FEATURES
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NAMES
    SMILES
    O=C(Nc1nnc(CCS(=O)(=O)c2ccc3ccccc3c2)s1)c1ccc([N+](=O)[O-])cc1
    InChI
    InChI=1S/C21H16N4O5S2/c26-20(15-5-8-17(9-6-15)25(27)28)22-21-24-23-19(31-21)11-12-32(29,30)18-10-7-14-3-1-2-4-16(14)13-18/h1-10,13H,11-12H2,(H,22,24,26)
    MOLECULAR FORMULA
    C21H16N4O5S2
    CROSS REFERENCES
    1687743 logo

    canSAR1687743

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 468.06
    AlogP 3.87
    HBond donors 1
    HBond acceptors 9
    Atoms 48
    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 canSAR1687743.