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canSAR398517
FEATURES
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NAMES
    SMILES
    CNC(=O)C1=C(C)C2=C(Nc3ccccc3S2)C(C(=O)NC)C1c1ccc([N+](=O)[O-])cc1
    InChI
    InChI=1S/C23H22N4O4S/c1-12-17(22(28)24-2)18(13-8-10-14(11-9-13)27(30)31)19(23(29)25-3)20-21(12)32-16-7-5-4-6-15(16)26-20/h4-11,18-19,26H,1-3H3,(H,24,28)(H,25,29)
    MOLECULAR FORMULA
    C23H22N4O4S
    CROSS REFERENCES
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    canSAR398517

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 450.14
    AlogP 3.55
    HBond donors 3
    HBond acceptors 8
    Atoms 54
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR398517.