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canSAR1023286
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NAMES
    SMILES
    Nc1nc(C2CC2)nc2c1nnn2C[C@@H]1CCN(Cc2nccs2)C1
    InChI
    InChI=1S/C16H20N8S/c17-14-13-16(20-15(19-14)11-1-2-11)24(22-21-13)8-10-3-5-23(7-10)9-12-18-4-6-25-12/h4,6,10-11H,1-3,5,7-9H2,(H2,17,19,20)/t10-/m1/s1
    MOLECULAR FORMULA
    C16H20N8S
    CROSS REFERENCES
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    canSAR1023286

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 356.15
    AlogP 1.66
    HBond donors 2
    HBond acceptors 8
    Atoms 45
    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 canSAR1023286.