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canSAR1500945
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NAMES
    SMILES
    CCCn1c(CCNc2nc(-c3cccc(Br)c3)cs2)nc2ccccc21
    InChI
    InChI=1S/C21H21BrN4S/c1-2-12-26-19-9-4-3-8-17(19)24-20(26)10-11-23-21-25-18(14-27-21)15-6-5-7-16(22)13-15/h3-9,13-14H,2,10-12H2,1H3,(H,23,25)
    MOLECULAR FORMULA
    C21H21BrN4S
    CROSS REFERENCES
    1500945 logo

    canSAR1500945

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 440.07
    AlogP 5.99
    HBond donors 1
    HBond acceptors 4
    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 canSAR1500945.