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canSAR2021265
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NAMES
    SMILES
    CCOC(=O)c1c(CN2CCOCC2)n(-c2ccccc2)c2cc(Br)c(O)cc12.Cl
    InChI
    InChI=1S/C22H23BrN2O4.ClH/c1-2-29-22(27)21-16-12-20(26)17(23)13-18(16)25(15-6-4-3-5-7-15)19(21)14-24-8-10-28-11-9-24;/h3-7,12-13,26H,2,8-11,14H2,1H3;1H
    MOLECULAR FORMULA
    C22H24BrClN2O4
    CROSS REFERENCES
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    canSAR2021265

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 494.06
    AlogP 4.53
    HBond donors 1
    HBond acceptors 6
    Atoms 54
    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 canSAR2021265.