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NAMES
    SMILES
    SC1=Nc2ccc(Br)cc2-c2nc(-c3ccccc3)cc(-c3ccccc3)c2C1
    InChI
    InChI=1S/C25H17BrN2S/c26-18-11-12-22-21(13-18)25-20(15-24(29)27-22)19(16-7-3-1-4-8-16)14-23(28-25)17-9-5-2-6-10-17/h1-14H,15H2,(H,27,29)
    MOLECULAR FORMULA
    C25H17BrN2S
    CROSS REFERENCES
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    canSAR72813

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 456.03
    AlogP 7.36
    HBond donors 0
    HBond acceptors 2
    Atoms 46
    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 canSAR72813.