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canSAR2048508
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NAMES
    SMILES
    NCCNc1nc(-c2ccncc2)nc2c(Br)csc12
    InChI
    InChI=1S/C13H12BrN5S/c14-9-7-20-11-10(9)18-12(8-1-4-16-5-2-8)19-13(11)17-6-3-15/h1-2,4-5,7H,3,6,15H2,(H,17,18,19)
    MOLECULAR FORMULA
    C13H12BrN5S
    CROSS REFERENCES
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    canSAR2048508

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 349.00
    AlogP 2.89
    HBond donors 3
    HBond acceptors 5
    Atoms 32
    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 canSAR2048508.