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canSAR2016212
FEATURES
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NAMES
    SMILES
    Cc1cccc(C(=O)NCCc2nnc(S)n2C)c1
    InChI
    InChI=1S/C13H16N4OS/c1-9-4-3-5-10(8-9)12(18)14-7-6-11-15-16-13(19)17(11)2/h3-5,8H,6-7H2,1-2H3,(H,14,18)(H,16,19)
    MOLECULAR FORMULA
    C13H16N4OS
    CROSS REFERENCES
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    canSAR2016212

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 276.10
    AlogP 1.38
    HBond donors 1
    HBond acceptors 5
    Atoms 35
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2016212.