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canSAR112851
FEATURES
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NAMES
    SMILES
    CCC(=O)O[C@H]1C(=O)[C@@]2(C)C([C@H](OC(=O)c3cccc(Cl)c3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@H](C=C(C)C)NC(=O)OC(C)(C)C)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O
    InChI
    InChI=1S/C44H58ClNO15/c1-12-30(49)58-33-31-22(4)27(57-38(53)32(50)26(16-21(2)3)46-39(54)61-40(6,7)8)19-44(55,41(31,9)10)36(59-37(52)24-14-13-15-25(45)17-24)34-42(11,35(33)51)28(48)18-29-43(34,20-56-29)60-23(5)47/h13-17,26-29,32-34,36,48,50,55H,12,18-20H2,1-11H3,(H,46,54)/t26-,27-,28-,29+,32+,33+,34?,36-,42+,43-,44+/m0/s1
    MOLECULAR FORMULA
    C44H58ClNO15
    CROSS REFERENCES
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    canSAR112851

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 875.35
    AlogP 4.47
    HBond donors 4
    HBond acceptors 16
    Atoms 119
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR112851.