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canSAR1716906
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NAMES
    SMILES
    COc1cccc2c1nc(N)n1nc(CN3CCN(c4cnc(C)s4)C[C@H]3C)nc21
    InChI
    InChI=1S/C20H24N8OS/c1-12-10-27(17-9-22-13(2)30-17)8-7-26(12)11-16-23-19-14-5-4-6-15(29-3)18(14)24-20(21)28(19)25-16/h4-6,9,12H,7-8,10-11H2,1-3H3,(H2,21,24)/t12-/m1/s1
    MOLECULAR FORMULA
    C20H24N8OS
    CROSS REFERENCES
    1716906 logo

    canSAR1716906

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 424.18
    AlogP 2.34
    HBond donors 2
    HBond acceptors 9
    Atoms 54
    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 canSAR1716906.