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canSAR1592976
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NAMES
    SMILES
    COCC(C)Oc1ncccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12
    InChI
    InChI=1S/C22H30N6O3S/c1-14(12-30-5)31-21-16(8-6-9-24-21)27-19-17-15(2)18(32-22(17)26-13-25-19)20(29)23-10-7-11-28(3)4/h6,8-9,13-14H,7,10-12H2,1-5H3,(H,23,29)(H,25,26,27)
    MOLECULAR FORMULA
    C22H30N6O3S
    CROSS REFERENCES
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    canSAR1592976

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 458.21
    AlogP 3.23
    HBond donors 2
    HBond acceptors 9
    Atoms 62
    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 canSAR1592976.