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canSAR1689812
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NAMES
    SMILES
    COc1ccc(C2CC(c3ccc(Br)s3)=Nc3ncnn32)cc1OC
    InChI
    InChI=1S/C17H15BrN4O2S/c1-23-13-4-3-10(7-14(13)24-2)12-8-11(15-5-6-16(18)25-15)21-17-19-9-20-22(12)17/h3-7,9,12H,8H2,1-2H3
    MOLECULAR FORMULA
    C17H15BrN4O2S
    CROSS REFERENCES
    1689812 logo

    canSAR1689812

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 418.01
    AlogP 4.23
    HBond donors 0
    HBond acceptors 6
    Atoms 40
    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 canSAR1689812.