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canSAR1768582
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NAMES
    SMILES
    O=C(COC(=O)c1cncc(Br)c1)Nc1ccc(N2CCCCC2)cc1
    InChI
    InChI=1S/C19H20BrN3O3/c20-15-10-14(11-21-12-15)19(25)26-13-18(24)22-16-4-6-17(7-5-16)23-8-2-1-3-9-23/h4-7,10-12H,1-3,8-9,13H2,(H,22,24)
    MOLECULAR FORMULA
    C19H20BrN3O3
    CROSS REFERENCES
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    canSAR1768582

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 417.07
    AlogP 3.63
    HBond donors 1
    HBond acceptors 6
    Atoms 46
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1768582.