canSAR2096312
FEATURES
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NAMES
    SMILES
    CCN(CC)CCCCOC(=O)/C(C)=C\CC12OC(C)(C)C3CC(C=C4C(=O)c5c(O)c(C/C=C(\C)CCC=C(C)C)c(O)c(CC=C(C)C)c5OC431)C2=O
    InChI
    InChI=1S/C46H63NO8/c1-11-47(12-2)24-13-14-25-53-43(52)31(8)22-23-45-42(51)32-26-35-40(50)37-39(49)33(21-19-30(7)17-15-16-28(3)4)38(48)34(20-18-29(5)6)41(37)54-46(35,45)36(27-32)44(9,10)55-45/h16,18-19,22,26,32,36,48-49H,11-15,17,20-21,23-25,27H2,1-10H3/b30-19+,31-22-/t32-,36+,45+,46-/m1/s1
    MOLECULAR FORMULA
    C46H63NO8
    CROSS REFERENCES
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    canSAR2096312
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight757.46
    AlogP8.85
    HBond donors2
    HBond acceptors9
    Atoms118
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2096312.