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canSAR164911
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NAMES
    SMILES
    COc1cc2ncn(-c3cc(OCc4ccccc4Br)c(C(N)=O)s3)c2cc1OC
    InChI
    InChI=1S/C21H18BrN3O4S/c1-27-16-7-14-15(8-17(16)28-2)25(11-24-14)19-9-18(20(30-19)21(23)26)29-10-12-5-3-4-6-13(12)22/h3-9,11H,10H2,1-2H3,(H2,23,26)
    MOLECULAR FORMULA
    C21H18BrN3O4S
    CROSS REFERENCES
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    canSAR164911

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 487.02
    AlogP 4.54
    HBond donors 2
    HBond acceptors 7
    Atoms 48
    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 canSAR164911.