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canSAR186064
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NAMES
    SMILES
    COCc1nnc(SCC(=O)Nc2ccc(C)cc2Br)n1-c1ccc(C)cc1
    InChI
    InChI=1S/C20H21BrN4O2S/c1-13-4-7-15(8-5-13)25-18(11-27-3)23-24-20(25)28-12-19(26)22-17-9-6-14(2)10-16(17)21/h4-10H,11-12H2,1-3H3,(H,22,26)
    MOLECULAR FORMULA
    C20H21BrN4O2S
    CROSS REFERENCES
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    canSAR186064

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 460.06
    AlogP 4.52
    HBond donors 1
    HBond acceptors 6
    Atoms 49
    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 canSAR186064.