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canSAR1864051
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NAMES
    SMILES
    COc1ccc(-n2c(C)nn(CC3CC3)c2=O)cc1
    InChI
    InChI=1S/C14H17N3O2/c1-10-15-16(9-11-3-4-11)14(18)17(10)12-5-7-13(19-2)8-6-12/h5-8,11H,3-4,9H2,1-2H3
    MOLECULAR FORMULA
    C14H17N3O2
    CROSS REFERENCES
    1864051 logo

    canSAR1864051

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 259.13
    AlogP 1.76
    HBond donors 0
    HBond acceptors 5
    Atoms 36
    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 canSAR1864051.