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canSAR159621
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NAMES
    SMILES
    CCc1c(C)[nH]c2c1/C(=N/NC(=S)Nc1cccc(C)c1)CCC2
    InChI
    InChI=1S/C19H24N4S/c1-4-15-13(3)20-16-9-6-10-17(18(15)16)22-23-19(24)21-14-8-5-7-12(2)11-14/h5,7-8,11,20H,4,6,9-10H2,1-3H3,(H2,21,23,24)/b22-17+
    MOLECULAR FORMULA
    C19H24N4S
    CROSS REFERENCES
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    canSAR159621

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 340.17
    AlogP 4.22
    HBond donors 3
    HBond acceptors 4
    Atoms 48
    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 canSAR159621.