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canSAR755736
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NAMES
    SMILES
    Cc1cc(Br)cc(C)c1Oc1ccc([N+](=O)[O-])c(Nc2ccc(C#N)cc2)c1
    InChI
    InChI=1S/C21H16BrN3O3/c1-13-9-16(22)10-14(2)21(13)28-18-7-8-20(25(26)27)19(11-18)24-17-5-3-15(12-23)4-6-17/h3-11,24H,1-2H3
    MOLECULAR FORMULA
    C21H16BrN3O3
    CROSS REFERENCES
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    canSAR755736

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 437.04
    AlogP 6.38
    HBond donors 1
    HBond acceptors 6
    Atoms 44
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR755736.