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canSAR72849
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NAMES
    SMILES
    O=C(Cc1cccc(Br)c1)NC1CCN(Cc2ccc(I)cc2)CC1
    InChI
    InChI=1S/C20H22BrIN2O/c21-17-3-1-2-16(12-17)13-20(25)23-19-8-10-24(11-9-19)14-15-4-6-18(22)7-5-15/h1-7,12,19H,8-11,13-14H2,(H,23,25)
    MOLECULAR FORMULA
    C20H22BrIN2O
    CROSS REFERENCES
    72849 logo

    canSAR72849

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 512.00
    AlogP 4.38
    HBond donors 1
    HBond acceptors 3
    Atoms 47
    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 canSAR72849.