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canSAR1864171
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NAMES
    SMILES
    CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CC5CCC(C4)N5CCO)cn3)nc2n1C1CCCC1
    InChI
    InChI=1S/C28H36N8O3/c1-33(2)27(39)23-13-19-15-30-28(32-25(19)36(23)20-5-3-4-6-20)31-24-10-7-18(14-29-24)26(38)34-16-21-8-9-22(17-34)35(21)11-12-37/h7,10,13-15,20-22,37H,3-6,8-9,11-12,16-17H2,1-2H3,(H,29,30,31,32)
    MOLECULAR FORMULA
    C28H36N8O3
    CROSS REFERENCES
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    canSAR1864171

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 532.29
    AlogP 2.67
    HBond donors 2
    HBond acceptors 11
    Atoms 75
    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 canSAR1864171.