canSAR824055
FEATURES
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NAMES
    SMILES
    COC(=O)/C=C/C[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](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
    InChI
    InChI=1S/C46H71NO14/c1-26-19-27(2)21-38(57-7)42-39(58-8)23-29(4)46(55,61-42)43(52)44(53)47-18-11-10-14-33(47)45(54)60-41(28(3)22-31-16-17-34(48)37(24-31)56-6)30(5)35(49)25-36(50)32(20-26)13-12-15-40(51)59-9/h12,15,20,22,27,29-35,37-39,41-42,48-49,55H,10-11,13-14,16-19,21,23-25H2,1-9H3/b15-12+,26-20+,28-22+/t27-,29+,30+,31-,32+,33-,34+,35-,37+,38-,39-,41+,42+,46+/m0/s1
    MOLECULAR FORMULA
    C46H71NO14
    CROSS REFERENCES
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    canSAR824055
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight861.49
    AlogP4.18
    HBond donors3
    HBond acceptors15
    Atoms132
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824055.