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canSAR1065752
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NAMES
    SMILES
    COc1cc(O)c(C(=O)N/N=C(\C)c2cc3ccccc3[nH]2)cc1Br
    InChI
    InChI=1S/C18H16BrN3O3/c1-10(15-7-11-5-3-4-6-14(11)20-15)21-22-18(24)12-8-13(19)17(25-2)9-16(12)23/h3-9,20,23H,1-2H3,(H,22,24)/b21-10+
    MOLECULAR FORMULA
    C18H16BrN3O3
    CROSS REFERENCES
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    canSAR1065752

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 401.04
    AlogP 3.80
    HBond donors 3
    HBond acceptors 6
    Atoms 41
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1065752.