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canSAR742577
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NAMES
    SMILES
    COc1c(Br)cc(C/C(=N\O)C(=O)NCCc2cc(Br)c(OCCCN)c(Br)c2)cc1Br
    InChI
    InChI=1S/C21H23Br4N3O4/c1-31-19-14(22)9-13(10-15(19)23)11-18(28-30)21(29)27-5-3-12-7-16(24)20(17(25)8-12)32-6-2-4-26/h7-10,30H,2-6,11,26H2,1H3,(H,27,29)/b28-18+
    MOLECULAR FORMULA
    C21H23Br4N3O4
    CROSS REFERENCES
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    canSAR742577

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 696.84
    AlogP 5.20
    HBond donors 4
    HBond acceptors 7
    Atoms 55
    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 canSAR742577.