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canSAR1144807
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NAMES
    SMILES
    Nc1ccc(OCc2nc3cc(Br)ccc3[nH]2)cc1
    InChI
    InChI=1S/C14H12BrN3O/c15-9-1-6-12-13(7-9)18-14(17-12)8-19-11-4-2-10(16)3-5-11/h1-7H,8,16H2,(H,17,18)
    MOLECULAR FORMULA
    C14H12BrN3O
    CROSS REFERENCES
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    canSAR1144807

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 317.02
    AlogP 3.49
    HBond donors 3
    HBond acceptors 4
    Atoms 31
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1144807.