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canSAR2003088
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NAMES
    SMILES
    Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(Br)cc2)c1CSC1=NCCS1
    InChI
    InChI=1S/C16H14BrN9O2S2/c17-10-3-1-9(2-4-10)7-20-22-15(27)12-11(8-30-16-19-5-6-29-16)26(25-21-12)14-13(18)23-28-24-14/h1-4,7H,5-6,8H2,(H2,18,23)(H,22,27)/b20-7+
    MOLECULAR FORMULA
    C16H14BrN9O2S2
    CROSS REFERENCES
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    canSAR2003088

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 506.99
    AlogP 2.09
    HBond donors 3
    HBond acceptors 11
    Atoms 44
    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 canSAR2003088.