canSAR823682
FEATURES
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NAMES
    SMILES
    CCC(C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC(=O)NC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2
    InChI
    InChI=1S/C50H76N2O14/c1-12-26(2)44-29(5)18-19-49(66-44)24-35-21-34(65-49)17-16-28(4)43(27(3)14-13-15-33-25-59-46-42(53)30(6)20-36(47(54)62-35)50(33,46)56)63-40-23-38(58-11)45(32(8)61-40)64-39-22-37(57-10)41(31(7)60-39)52-48(55)51-9/h13-16,18-20,26-27,29,31-32,34-46,53,56H,12,17,21-25H2,1-11H3,(H2,51,52,55)/b14-13+,28-16+,33-15+/t26?,27-,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41+,42+,43-,44+,45-,46+,49+,50+/m0/s1
    MOLECULAR FORMULA
    C50H76N2O14
    CROSS REFERENCES
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    canSAR823682
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight928.53
    AlogP5.31
    HBond donors4
    HBond acceptors16
    Atoms142
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR823682.