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canSAR1430820
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NAMES
    SMILES
    C/C(=N\NC(=S)NCCc1ccccc1)c1cccc(Br)c1
    InChI
    InChI=1S/C17H18BrN3S/c1-13(15-8-5-9-16(18)12-15)20-21-17(22)19-11-10-14-6-3-2-4-7-14/h2-9,12H,10-11H2,1H3,(H2,19,21,22)/b20-13+
    MOLECULAR FORMULA
    C17H18BrN3S
    CROSS REFERENCES
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    canSAR1430820

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 375.04
    AlogP 3.88
    HBond donors 2
    HBond acceptors 3
    Atoms 40
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1430820.