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canSAR1716138
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NAMES
    SMILES
    COC(=O)c1c(NC(=O)CC2SC(N)=NC2=O)sc2c1CCC(C)C2
    InChI
    InChI=1S/C16H19N3O4S2/c1-7-3-4-8-9(5-7)24-14(12(8)15(22)23-2)18-11(20)6-10-13(21)19-16(17)25-10/h7,10H,3-6H2,1-2H3,(H,18,20)(H2,17,19,21)
    MOLECULAR FORMULA
    C16H19N3O4S2
    CROSS REFERENCES
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    canSAR1716138

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 381.08
    AlogP 1.94
    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 canSAR1716138.