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canSAR779716
FEATURES
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NAMES
    SMILES
    CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](Oc4ccc(OC)cc4)[C@H](O)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
    InChI
    InChI=1S/C49H73NO13/c1-10-34-22-28(2)21-29(3)23-42(59-8)45-43(60-9)25-31(5)49(57,63-45)46(54)47(55)50-20-12-11-13-37(50)48(56)62-44(32(6)38(51)27-39(34)52)30(4)24-33-14-19-41(40(53)26-33)61-36-17-15-35(58-7)16-18-36/h15-18,22,24,29,31-34,37-38,40-45,51,53,57H,10-14,19-21,23,25-27H2,1-9H3/b28-22+,30-24+/t29-,31+,32+,33-,34+,37-,38-,40+,41+,42-,43-,44+,45+,49+/m0/s1
    MOLECULAR FORMULA
    C49H73NO13
    CROSS REFERENCES
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    canSAR779716

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 883.51
    AlogP 5.91
    HBond donors 3
    HBond acceptors 14
    Atoms 136
    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 canSAR779716.