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canSAR782927
FEATURES
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NAMES
    SMILES
    COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(=O)CCOc6no[n+]([O-])c6S(=O)(=O)c6ccccc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
    InChI
    InChI=1S/C45H60N2O11S/c1-40(2)33-16-20-45(7)36(32(49)26-30-31-27-42(4,39(51)55-8)22-21-41(31,3)23-24-44(30,45)6)43(33,5)19-17-34(40)57-35(50)15-14-28(48)18-25-56-37-38(47(52)58-46-37)59(53,54)29-12-10-9-11-13-29/h9-13,26,31,33-34,36H,14-25,27H2,1-8H3/t31-,33-,34-,36+,41+,42-,43-,44+,45+/m0/s1
    MOLECULAR FORMULA
    C45H60N2O11S
    CROSS REFERENCES
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    canSAR782927

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 836.39
    AlogP 7.32
    HBond donors 0
    HBond acceptors 13
    Atoms 119
    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 canSAR782927.