canSAR820311
FEATURES
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NAMES
    SMILES
    CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@H](C=C(C)C)NC(=O)C3CCCC3)C(C)=C1C2(C)C
    InChI
    InChI=1S/C45H59NO14/c1-9-32(49)58-35-33-24(4)29(57-41(54)34(50)28(19-23(2)3)46-39(52)26-15-13-14-16-26)21-45(55,42(33,6)7)38(59-40(53)27-17-11-10-12-18-27)36-43(8,37(35)51)30(48)20-31-44(36,22-56-31)60-25(5)47/h10-12,17-19,26,28-31,34-36,38,48,50,55H,9,13-16,20-22H2,1-8H3,(H,46,52)/t28-,29-,30-,31+,34+,35+,36-,38-,43+,44-,45+/m0/s1
    MOLECULAR FORMULA
    C45H59NO14
    CROSS REFERENCES
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    canSAR820311
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight837.39
    AlogP3.60
    HBond donors4
    HBond acceptors15
    Atoms119
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR820311.