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canSAR1530362
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NAMES
    SMILES
    CCCCCSc1nnc2c(n1)OC(CC)Nc1ccc(Br)cc1-2
    InChI
    InChI=1S/C17H21BrN4OS/c1-3-5-6-9-24-17-20-16-15(21-22-17)12-10-11(18)7-8-13(12)19-14(4-2)23-16/h7-8,10,14,19H,3-6,9H2,1-2H3
    MOLECULAR FORMULA
    C17H21BrN4OS
    CROSS REFERENCES
    1530362 logo

    canSAR1530362

    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 canSAR1530362.