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canSAR1495344
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NAMES
    SMILES
    CCN(CC)CCO/N=C1/C(c2c(O)[nH]c3c(Br)cccc23)=Nc2ccccc21.Cl
    InChI
    InChI=1S/C22H23BrN4O2.ClH/c1-3-27(4-2)12-13-29-26-20-14-8-5-6-11-17(14)24-21(20)18-15-9-7-10-16(23)19(15)25-22(18)28;/h5-11,25,28H,3-4,12-13H2,1-2H3;1H/b26-20+;
    MOLECULAR FORMULA
    C22H24BrClN4O2
    CROSS REFERENCES
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    canSAR1495344

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 490.08
    AlogP 5.25
    HBond donors 2
    HBond acceptors 6
    Atoms 54
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1495344.