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canSAR989722
FEATURES
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NAMES
    SMILES
    COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=O)CCCC(=O)OC1C3CC4CC1CC(OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)(C4)C3)CC2
    InChI
    InChI=1S/C49H60N2O13/c1-48(2,3)64-47(57)51-41(28-12-9-8-10-13-28)42(55)46(56)63-49-24-27-20-30(25-49)43(31(21-27)26-49)62-39(54)15-11-14-38(53)50-34-18-16-29-22-37(59-5)44(60-6)45(61-7)40(29)32-17-19-36(58-4)35(52)23-33(32)34/h8-10,12-13,17,19,22-23,27,30-31,34,41-43,55H,11,14-16,18,20-21,24-26H2,1-7H3,(H,50,53)(H,51,57)/t27?,30?,31?,34-,41-,42+,43?,49?/m0/s1
    MOLECULAR FORMULA
    C49H60N2O13
    CROSS REFERENCES
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    canSAR989722

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 884.41
    AlogP 6.68
    HBond donors 3
    HBond acceptors 15
    Atoms 124
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR989722.