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canSAR1060220
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NAMES
    SMILES
    Cn1cncc1-c1nnc(NC(=O)[C@H](Cc2ccccc2)NCc2cscn2)s1
    InChI
    InChI=1S/C19H19N7OS2/c1-26-11-20-9-16(26)18-24-25-19(29-18)23-17(27)15(7-13-5-3-2-4-6-13)21-8-14-10-28-12-22-14/h2-6,9-12,15,21H,7-8H2,1H3,(H,23,25,27)/t15-/m0/s1
    MOLECULAR FORMULA
    C19H19N7OS2
    CROSS REFERENCES
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    canSAR1060220

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 425.11
    AlogP 2.73
    HBond donors 2
    HBond acceptors 8
    Atoms 48
    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 canSAR1060220.