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canSAR1522501
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NAMES
    SMILES
    COc1cc(/C=N\Nc2nc(-c3cccs3)c(NC(C)=O)s2)ccc1O
    InChI
    InChI=1S/C17H16N4O3S2/c1-10(22)19-16-15(14-4-3-7-25-14)20-17(26-16)21-18-9-11-5-6-12(23)13(8-11)24-2/h3-9,23H,1-2H3,(H,19,22)(H,20,21)/b18-9-
    MOLECULAR FORMULA
    C17H16N4O3S2
    CROSS REFERENCES
    1522501 logo

    canSAR1522501

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 388.07
    AlogP 3.99
    HBond donors 3
    HBond acceptors 7
    Atoms 42
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1522501.