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canSAR1085529
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NAMES
    SMILES
    COc1cc(Br)c(CNc2ccc(Cl)c(O[C@@H]3CCN(C)C3)c2)cc1OC
    InChI
    InChI=1S/C20H24BrClN2O3/c1-24-7-6-15(12-24)27-18-9-14(4-5-17(18)22)23-11-13-8-19(25-2)20(26-3)10-16(13)21/h4-5,8-10,15,23H,6-7,11-12H2,1-3H3/t15-/m1/s1
    MOLECULAR FORMULA
    C20H24BrClN2O3
    CROSS REFERENCES
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    canSAR1085529

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 454.07
    AlogP 4.81
    HBond donors 1
    HBond acceptors 5
    Atoms 51
    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 canSAR1085529.