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canSAR1145259
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NAMES
    SMILES
    Nc1nc(N)c2cc(CSC(=S)N3CCN(c4ccccn4)CC3)ccc2n1
    InChI
    InChI=1S/C19H21N7S2/c20-17-14-11-13(4-5-15(14)23-18(21)24-17)12-28-19(27)26-9-7-25(8-10-26)16-3-1-2-6-22-16/h1-6,11H,7-10,12H2,(H4,20,21,23,24)
    MOLECULAR FORMULA
    C19H21N7S2
    CROSS REFERENCES
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    canSAR1145259

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 411.13
    AlogP 2.53
    HBond donors 4
    HBond acceptors 7
    Atoms 49
    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 canSAR1145259.