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canSAR781793
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NAMES
    SMILES
    CN(C)c1nc2sc3c(NCCN4CCOCC4)ncnc3c2c2c1COC(C)(C)C2
    InChI
    InChI=1S/C22H30N6O2S/c1-22(2)11-14-15(12-30-22)20(27(3)4)26-21-16(14)17-18(31-21)19(25-13-24-17)23-5-6-28-7-9-29-10-8-28/h13H,5-12H2,1-4H3,(H,23,24,25)
    MOLECULAR FORMULA
    C22H30N6O2S
    CROSS REFERENCES
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    canSAR781793

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 442.22
    AlogP 2.90
    HBond donors 1
    HBond acceptors 8
    Atoms 61
    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 canSAR781793.