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canSAR1634031
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NAMES
    SMILES
    CCN1CCN(C2=C(NC(=O)c3ccc(Br)cc3)C(=O)c3ccccc3C2=O)CC1
    InChI
    InChI=1S/C23H22BrN3O3/c1-2-26-11-13-27(14-12-26)20-19(25-23(30)15-7-9-16(24)10-8-15)21(28)17-5-3-4-6-18(17)22(20)29/h3-10H,2,11-14H2,1H3,(H,25,30)
    MOLECULAR FORMULA
    C23H22BrN3O3
    CROSS REFERENCES
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    canSAR1634031

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 467.08
    AlogP 3.11
    HBond donors 1
    HBond acceptors 6
    Atoms 52
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1634031.