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canSAR1620019
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NAMES
    SMILES
    COc1cccc(-c2nc(SCC(=O)Nc3nc(-c4ccccc4)c(C)s3)nc(O)c2C#N)c1
    InChI
    InChI=1S/C24H19N5O3S2/c1-14-20(15-7-4-3-5-8-15)27-24(34-14)26-19(30)13-33-23-28-21(18(12-25)22(31)29-23)16-9-6-10-17(11-16)32-2/h3-11H,13H2,1-2H3,(H,26,27,30)(H,28,29,31)
    MOLECULAR FORMULA
    C24H19N5O3S2
    CROSS REFERENCES
    1620019 logo

    canSAR1620019

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 489.09
    AlogP 4.89
    HBond donors 2
    HBond acceptors 8
    Atoms 53
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1620019.