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canSAR1026737
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NAMES
    SMILES
    COc1cc(/C=N/NC(=O)C(OC)c2ccnc3ccccc23)cc(OC)c1Br
    InChI
    InChI=1S/C21H20BrN3O4/c1-27-17-10-13(11-18(28-2)19(17)22)12-24-25-21(26)20(29-3)15-8-9-23-16-7-5-4-6-14(15)16/h4-12,20H,1-3H3,(H,25,26)/b24-12+
    MOLECULAR FORMULA
    C21H20BrN3O4
    CROSS REFERENCES
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    canSAR1026737

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 457.06
    AlogP 3.85
    HBond donors 1
    HBond acceptors 7
    Atoms 49
    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 canSAR1026737.