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canSAR829347
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NAMES
    SMILES
    C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)OCCCNc3nc(N)nc(N)n3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4
    InChI
    InChI=1S/C25H38N6O8/c1-13-5-6-16-14(2)19(36-20-25(16)15(13)9-10-24(3,37-20)38-39-25)35-18(33)8-7-17(32)34-12-4-11-28-23-30-21(26)29-22(27)31-23/h13-16,19-20H,4-12H2,1-3H3,(H5,26,27,28,29,30,31)/t13-,14-,15+,16+,19-,20-,24-,25-/m1/s1
    MOLECULAR FORMULA
    C25H38N6O8
    CROSS REFERENCES
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    canSAR829347

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 550.28
    AlogP 1.91
    HBond donors 5
    HBond acceptors 14
    Atoms 77
    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 canSAR829347.