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canSAR1530030
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NAMES
    SMILES
    Cc1nc(NCc2ccco2)c(C#N)c2c1COC(C)(C)C2
    InChI
    InChI=1S/C17H19N3O2/c1-11-15-10-22-17(2,3)7-13(15)14(8-18)16(20-11)19-9-12-5-4-6-21-12/h4-6H,7,9-10H2,1-3H3,(H,19,20)
    MOLECULAR FORMULA
    C17H19N3O2
    CROSS REFERENCES
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    canSAR1530030

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 297.15
    AlogP 3.32
    HBond donors 1
    HBond acceptors 5
    Atoms 41
    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 canSAR1530030.