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canSAR158873
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NAMES
    SMILES
    COc1cc(-n2nc(C)c3c2OC(N)=C(C#N)C3c2ccccc2)c(Cl)c(Br)c1O
    InChI
    InChI=1S/C21H16BrClN4O3/c1-10-15-16(11-6-4-3-5-7-11)12(9-24)20(25)30-21(15)27(26-10)13-8-14(29-2)19(28)17(22)18(13)23/h3-8,16,28H,25H2,1-2H3
    MOLECULAR FORMULA
    C21H16BrClN4O3
    CROSS REFERENCES
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    canSAR158873

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 486.01
    AlogP 4.53
    HBond donors 3
    HBond acceptors 7
    Atoms 46
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR158873.