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canSAR989550
FEATURES
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NAMES
    SMILES
    C/C=C(\C)C(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3cccc(N=[N+]=[N-])c3)[C@H]3[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](OC(=O)NC)C[C@H]1OC[C@]13OC(C)=O
    InChI
    InChI=1S/C45H53N5O14/c1-9-22(2)38(55)48-32(25-14-11-10-12-15-25)34(53)40(57)61-28-20-45(59)37(63-39(56)26-16-13-17-27(18-26)49-50-46)35-43(7,36(54)33(52)31(23(28)3)42(45,5)6)29(62-41(58)47-8)19-30-44(35,21-60-30)64-24(4)51/h9-18,28-30,32-35,37,52-53,59H,19-21H2,1-8H3,(H,47,58)(H,48,55)/b22-9+/t28-,29-,30+,32-,33+,34+,35-,37-,43+,44-,45+/m0/s1
    MOLECULAR FORMULA
    C45H53N5O14
    CROSS REFERENCES
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    canSAR989550

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 887.36
    AlogP 4.12
    HBond donors 5
    HBond acceptors 19
    Atoms 117
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR989550.