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canSAR1651433
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NAMES
    SMILES
    CCCCCCSc1nnc2c(n1)OC(C)Nc1ccc(Br)cc1-2
    InChI
    InChI=1S/C17H21BrN4OS/c1-3-4-5-6-9-24-17-20-16-15(21-22-17)13-10-12(18)7-8-14(13)19-11(2)23-16/h7-8,10-11,19H,3-6,9H2,1-2H3
    MOLECULAR FORMULA
    C17H21BrN4OS
    CROSS REFERENCES
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    canSAR1651433

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 408.06
    AlogP 5.12
    HBond donors 1
    HBond acceptors 5
    Atoms 45
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1651433.