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canSAR1689700
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NAMES
    SMILES
    Cc1cc(C)c(N=Nc2c(C)[nH]n(C(N)=S)c2=O)c(C)c1
    InChI
    InChI=1S/C14H17N5OS/c1-7-5-8(2)11(9(3)6-7)16-17-12-10(4)18-19(13(12)20)14(15)21/h5-6,18H,1-4H3,(H2,15,21)
    MOLECULAR FORMULA
    C14H17N5OS
    CROSS REFERENCES
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    canSAR1689700

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 303.12
    AlogP 2.92
    HBond donors 3
    HBond acceptors 6
    Atoms 38
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1689700.