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canSAR352914
FEATURES
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NAMES
    SMILES
    CC(=O)O[C@H]1C(=O)[C@@]2(C)C([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)CNC(=O)C45CC6CC(CC(C6)C4)C5)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O
    InChI
    InChI=1S/C45H57NO14/c1-22-30(58-39(53)29(49)20-46-40(54)43-16-25-12-26(17-43)14-27(13-25)18-43)19-45(55)37(59-38(52)28-10-8-7-9-11-28)35-42(6,31(50)15-32-44(35,21-56-32)60-24(3)48)36(51)34(57-23(2)47)33(22)41(45,4)5/h7-11,25-27,29-32,34-35,37,49-50,55H,12-21H2,1-6H3,(H,46,54)/t25?,26?,27?,29-,30+,31+,32-,34-,35?,37+,42-,43?,44+,45-/m1/s1
    MOLECULAR FORMULA
    C45H57NO14
    CROSS REFERENCES
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    canSAR352914

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 835.38
    AlogP 2.90
    HBond donors 4
    HBond acceptors 15
    Atoms 117
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR352914.