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canSAR394722
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NAMES
    SMILES
    NC(=S)N/N=C1/CCC(c2ccc(Br)cc2)C1
    InChI
    InChI=1S/C12H14BrN3S/c13-10-4-1-8(2-5-10)9-3-6-11(7-9)15-16-12(14)17/h1-2,4-5,9H,3,6-7H2,(H3,14,16,17)/b15-11-
    MOLECULAR FORMULA
    C12H14BrN3S
    CROSS REFERENCES
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    canSAR394722

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 311.01
    AlogP 2.91
    HBond donors 3
    HBond acceptors 3
    Atoms 31
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR394722.