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canSAR1121917
FEATURES
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NAMES
    SMILES
    C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@](OC)(c2ccccc2OC)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
    InChI
    InChI=1S/C34H48N4O9S/c1-7-21-18-34(21,30(41)37-48(43,44)23-16-17-23)36-28(39)25-19-33(46-6,24-14-10-11-15-26(24)45-5)20-38(25)29(40)27(32(2,3)4)35-31(42)47-22-12-8-9-13-22/h7,10-11,14-15,21-23,25,27H,1,8-9,12-13,16-20H2,2-6H3,(H,35,42)(H,36,39)(H,37,41)/t21-,25+,27-,33+,34-/m1/s1
    MOLECULAR FORMULA
    C34H48N4O9S
    CROSS REFERENCES
    1121917 logo

    canSAR1121917

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 688.31
    AlogP 2.89
    HBond donors 3
    HBond acceptors 13
    Atoms 96
    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 canSAR1121917.