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canSAR1636298
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NAMES
    SMILES
    CCC(=NNC(=O)c1cc2ccccc2cc1O)c1cc2cc(Br)ccc2[nH]1
    InChI
    InChI=1S/C22H18BrN3O2/c1-2-18(20-11-15-9-16(23)7-8-19(15)24-20)25-26-22(28)17-10-13-5-3-4-6-14(13)12-21(17)27/h3-12,24,27H,2H2,1H3,(H,26,28)
    MOLECULAR FORMULA
    C22H18BrN3O2
    CROSS REFERENCES
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    canSAR1636298

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 435.06
    AlogP 5.33
    HBond donors 3
    HBond acceptors 5
    Atoms 46
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1636298.