canSAR823777
FEATURES
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NAMES
    SMILES
    COC(=O)NC1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](O[C@H]5CCCCO5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3\C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4/C=C\2C)C3=O)CC1(C)[N+](=O)[O-]
    InChI
    InChI=1S/C48H64N2O15/c1-24-13-16-34(63-37-22-46(7,50(57)58)41(28(5)61-37)49-45(56)59-9)25(2)19-33-35(62-29(6)52)20-30(23-51)21-48(33)43(54)38(44(55)65-48)42(53)47(8)32(24)15-14-31-39(47)26(3)18-27(4)40(31)64-36-12-10-11-17-60-36/h13-15,19-20,23,26-28,31-37,39-41,53H,10-12,16-18,21-22H2,1-9H3,(H,49,56)/b24-13+,25-19-,42-38+/t26-,27-,28-,31-,32-,33+,34-,35-,36-,37-,39+,40-,41?,46?,47+,48-/m0/s1
    MOLECULAR FORMULA
    C48H64N2O15
    CROSS REFERENCES
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    canSAR823777
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight908.43
    AlogP6.33
    HBond donors2
    HBond acceptors17
    Atoms129
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR823777.