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canSAR828086
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NAMES
    SMILES
    Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCOCC34CCC4)ns2)n1
    InChI
    InChI=1S/C21H24N8OS/c1-14-11-29-17(15-8-23-24-9-15)10-22-20(29)19(25-14)26-18-7-16(27-31-18)12-28-5-6-30-13-21(28)3-2-4-21/h7-11H,2-6,12-13H2,1H3,(H,23,24)(H,25,26)
    MOLECULAR FORMULA
    C21H24N8OS
    CROSS REFERENCES
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    canSAR828086

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 436.18
    AlogP 3.38
    HBond donors 2
    HBond acceptors 9
    Atoms 55
    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 canSAR828086.