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canSAR828295
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NAMES
    SMILES
    O=C(N/N=C/c1ccc([N+](=O)[O-])s1)N1CCN(C2=NS(=O)(=O)c3ccccc3N2c2ccccc2)CC1
    InChI
    InChI=1S/C23H21N7O5S2/c31-23(25-24-16-18-10-11-21(36-18)30(32)33)28-14-12-27(13-15-28)22-26-37(34,35)20-9-5-4-8-19(20)29(22)17-6-2-1-3-7-17/h1-11,16H,12-15H2,(H,25,31)/b24-16+
    MOLECULAR FORMULA
    C23H21N7O5S2
    CROSS REFERENCES
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    canSAR828295

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 539.10
    AlogP 3.21
    HBond donors 1
    HBond acceptors 12
    Atoms 58
    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 canSAR828295.