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canSAR833633
FEATURES
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NAMES
    SMILES
    CO[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1OC(=O)CCC(=O)O[C@@H](C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](O)C[C@H]1OC[C@]13OC(C)=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1
    InChI
    InChI=1S/C58H67NO22/c1-29-35(26-58(72)50(80-52(70)34-21-15-10-16-22-34)48-56(6,37(63)25-38-57(48,28-74-38)81-31(3)62)49(68)45(75-30(2)61)41(29)55(58,4)5)76-53(71)46(42(32-17-11-8-12-18-32)59-51(69)33-19-13-9-14-20-33)78-39(64)23-24-40(65)79-47-44(67)43(66)36(27-60)77-54(47)73-7/h8-22,35-38,42-48,50,54,60,63,66-67,72H,23-28H2,1-7H3,(H,59,69)/t35-,36+,37-,38+,42-,43+,44+,45+,46+,47+,48-,50-,54-,56+,57-,58+/m0/s1
    MOLECULAR FORMULA
    C58H67NO22
    CROSS REFERENCES
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    canSAR833633

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1129.42
    AlogP 2.06
    HBond donors 6
    HBond acceptors 23
    Atoms 148
    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 canSAR833633.