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canSAR830168
FEATURES
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NAMES
    SMILES
    CCCCCCCC(=O)O[C@H]1CC2=C([C@H](C)C[C@H](OC(=O)CCCCCCC)[C@@H](OC(=O)CCCCCCC)C(C)(C)OC(=O)CCCCCCC)CC[C@]2(C)[C@@]2(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@H]12
    InChI
    InChI=1S/C62H106O9/c1-13-17-21-25-29-33-52(64)68-48-44-47-46(37-41-61(47,11)62(12)42-38-50-58(6,7)51(63)39-40-60(50,10)56(48)62)45(5)43-49(69-53(65)34-30-26-22-18-14-2)57(70-54(66)35-31-27-23-19-15-3)59(8,9)71-55(67)36-32-28-24-20-16-4/h45,48-50,56-57H,13-44H2,1-12H3/t45-,48+,49+,50+,56+,57-,60+,61+,62+/m1/s1
    MOLECULAR FORMULA
    C62H106O9
    CROSS REFERENCES
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    canSAR830168

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 994.78
    AlogP 16.44
    HBond donors 0
    HBond acceptors 9
    Atoms 177
    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 canSAR830168.