canSAR636161
FEATURES
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NAMES
    SMILES
    CC(=O)O[C@@]12CO[C@@H]1CC(O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)C(OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C[C@@](O)(C(OC(=O)c4ccccc4)C12)C3(C)C
    InChI
    InChI=1S/C45H49NO13/c1-24-29(57-41(54)35(50)33(26-15-9-6-10-16-26)46-39(52)27-17-11-7-12-18-27)22-45(55)38(58-40(53)28-19-13-8-14-20-28)36-43(5,37(51)34(49)32(24)42(45,3)4)30(48)21-31-44(36,23-56-31)59-25(2)47/h6-20,29-31,33-36,38,48-50,55H,21-23H2,1-5H3,(H,46,52)/t29?,30?,31-,33+,34-,35-,36?,38?,43-,44+,45-/m1/s1
    MOLECULAR FORMULA
    C45H49NO13
    CROSS REFERENCES
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    canSAR636161
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight811.32
    AlogP3.16
    HBond donors5
    HBond acceptors14
    Atoms108
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR636161.