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canSAR503927
FEATURES
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NAMES
    SMILES
    COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CNC(=O)OCc1ccc(OC(=O)NCCOCCOCCO)cc1)C[C@@H]3OC1CC(N)C(O)C(C)O1
    InChI
    InChI=1S/C42H49N3O17/c1-21-35(48)26(43)16-30(60-21)62-28-18-42(55,17-25-32(28)39(52)34-33(37(25)50)36(49)24-4-3-5-27(56-2)31(24)38(34)51)29(47)19-45-40(53)59-20-22-6-8-23(9-7-22)61-41(54)44-10-12-57-14-15-58-13-11-46/h3-9,21,26,28,30,35,46,48,50,52,55H,10-20,43H2,1-2H3,(H,44,54)(H,45,53)/t21?,26?,28-,30?,35?,42-/m0/s1
    MOLECULAR FORMULA
    C42H49N3O17
    CROSS REFERENCES
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    canSAR503927

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 867.31
    AlogP 1.05
    HBond donors 9
    HBond acceptors 20
    Atoms 111
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR503927.