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canSAR1648283
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NAMES
    SMILES
    CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CC5CCC4C5O)cn3)nc2n1C1CCCCCC1
    InChI
    InChI=1S/C28H35N7O3/c1-33(2)27(38)22-13-19-15-30-28(32-25(19)35(22)20-7-5-3-4-6-8-20)31-23-12-10-17(14-29-23)26(37)34-16-18-9-11-21(34)24(18)36/h10,12-15,18,20-21,24,36H,3-9,11,16H2,1-2H3,(H,29,30,31,32)
    MOLECULAR FORMULA
    C28H35N7O3
    CROSS REFERENCES
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    canSAR1648283

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 517.28
    AlogP 3.76
    HBond donors 2
    HBond acceptors 10
    Atoms 73
    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 canSAR1648283.