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canSAR171616
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NAMES
    SMILES
    CCOC(=O)c1c(NC(=O)CC2SC(=N)NC2=O)sc2c1CCCC2
    InChI
    InChI=1S/C16H19N3O4S2/c1-2-23-15(22)12-8-5-3-4-6-9(8)24-14(12)18-11(20)7-10-13(21)19-16(17)25-10/h10H,2-7H2,1H3,(H,18,20)(H2,17,19,21)
    MOLECULAR FORMULA
    C16H19N3O4S2
    CROSS REFERENCES
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    canSAR171616

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 381.08
    AlogP 2.30
    HBond donors 3
    HBond acceptors 7
    Atoms 44
    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 canSAR171616.