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canSAR1964897
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NAMES
    SMILES
    COc1c(Br)cc(/C=C2\O[C@H](CCCNC(=N)N)NC2=O)cc1Br
    InChI
    InChI=1S/C15H18Br2N4O3/c1-23-13-9(16)5-8(6-10(13)17)7-11-14(22)21-12(24-11)3-2-4-20-15(18)19/h5-7,12H,2-4H2,1H3,(H,21,22)(H4,18,19,20)/b11-7-/t12-/m1/s1
    MOLECULAR FORMULA
    C15H18Br2N4O3
    CROSS REFERENCES
    1964897 logo

    canSAR1964897

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 459.97
    AlogP 2.30
    HBond donors 5
    HBond acceptors 7
    Atoms 42
    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 canSAR1964897.