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canSAR832189
FEATURES
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NAMES
    SMILES
    CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)Nc4ccccc4)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)OC(=O)C(=O)Nc4ccccc4)O3)[C@@H]12
    InChI
    InChI=1S/C49H66N2O9/c1-30(52)57-34-28-36-46(6)24-22-37(58-40(54)29-39(53)50-31-16-12-10-13-17-31)44(2,3)35(46)21-26-47(36,7)48(8)25-20-33(41(34)48)49(9)27-23-38(59-49)45(4,5)60-43(56)42(55)51-32-18-14-11-15-19-32/h10-19,33-38,41H,20-29H2,1-9H3,(H,50,53)(H,51,55)/t33-,34+,35-,36+,37+,38+,41-,46-,47+,48+,49-/m0/s1
    MOLECULAR FORMULA
    C49H66N2O9
    CROSS REFERENCES
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    canSAR832189

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 826.48
    AlogP 9.05
    HBond donors 2
    HBond acceptors 11
    Atoms 126
    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 canSAR832189.