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canSAR501975
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NAMES
    SMILES
    CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(Br)cc2C1=O
    InChI
    InChI=1S/C17H18BrN3O3/c1-17(2,3)24-16(23)14-13-8-20(4)15(22)11-7-10(18)5-6-12(11)21(13)9-19-14/h5-7,9H,8H2,1-4H3
    MOLECULAR FORMULA
    C17H18BrN3O3
    CROSS REFERENCES
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    canSAR501975

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 391.05
    AlogP 3.18
    HBond donors 0
    HBond acceptors 6
    Atoms 42
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR501975.