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canSAR1128337
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NAMES
    SMILES
    COc1cc(/C=C/C(=O)Nc2ccc(C)cc2N)ccc1OCC(=O)Nc1ccc(Br)cc1
    InChI
    InChI=1S/C25H24BrN3O4/c1-16-3-10-21(20(27)13-16)29-24(30)12-5-17-4-11-22(23(14-17)32-2)33-15-25(31)28-19-8-6-18(26)7-9-19/h3-14H,15,27H2,1-2H3,(H,28,31)(H,29,30)/b12-5+
    MOLECULAR FORMULA
    C25H24BrN3O4
    CROSS REFERENCES
    1128337 logo

    canSAR1128337

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 509.10
    AlogP 5.02
    HBond donors 4
    HBond acceptors 7
    Atoms 57
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1128337.