canSAR999979
FEATURES
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NAMES
    SMILES
    CO[C@H]1/C=C/O[C@@]2(C)Oc3c(c4c5c(nn(CCO)c5c3C)C(=CC4=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O
    InChI
    InChI=1S/C39H49N3O11/c1-18-11-10-12-19(2)38(49)40-25-17-26(45)28-29-31(25)41-42(14-15-43)32(29)21(4)36-30(28)37(48)39(8,53-36)51-16-13-27(50-9)20(3)35(52-24(7)44)23(6)34(47)22(5)33(18)46/h10-13,16-18,20,22-23,27,33-35,43,46-47H,14-15H2,1-9H3,(H,40,49)/b11-10+,16-13+,19-12-/t18-,20+,22+,23+,27-,33-,34+,35+,39-/m0/s1
    MOLECULAR FORMULA
    C39H49N3O11
    CROSS REFERENCES
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    canSAR999979
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight735.34
    AlogP3.54
    HBond donors4
    HBond acceptors14
    Atoms102
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR999979.