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canSAR114414
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NAMES
    SMILES
    Cc1nnsc1C1=NNC(=O)/C1=C\c1cn(C)c2ccccc12
    InChI
    InChI=1S/C16H13N5OS/c1-9-15(23-20-17-9)14-12(16(22)19-18-14)7-10-8-21(2)13-6-4-3-5-11(10)13/h3-8H,1-2H3,(H,19,22)/b12-7-
    MOLECULAR FORMULA
    C16H13N5OS
    CROSS REFERENCES
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    canSAR114414

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 323.08
    AlogP 2.26
    HBond donors 1
    HBond acceptors 6
    Atoms 36
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR114414.