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canSAR1973675
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NAMES
    SMILES
    O=c1[nH]c(=S)n(-c2ccc(Br)cc2)c(O)c1C=Nc1ccc(N2CCOCC2)cc1
    InChI
    InChI=1S/C21H19BrN4O3S/c22-14-1-5-17(6-2-14)26-20(28)18(19(27)24-21(26)30)13-23-15-3-7-16(8-4-15)25-9-11-29-12-10-25/h1-8,13,28H,9-12H2,(H,24,27,30)
    MOLECULAR FORMULA
    C21H19BrN4O3S
    CROSS REFERENCES
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    canSAR1973675

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 486.04
    AlogP 3.95
    HBond donors 2
    HBond acceptors 7
    Atoms 49
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1973675.