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canSAR836263
FEATURES
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NAMES
    SMILES
    C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(O)(COCC#CCOCc3ccc(F)cc3)C[C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4
    InChI
    InChI=1S/C45H63FO11/c1-27-9-15-35-29(3)37(50-39-44(35)33(27)17-19-41(5,52-39)54-56-44)23-43(47,26-49-22-8-7-21-48-25-31-11-13-32(46)14-12-31)24-38-30(4)36-16-10-28(2)34-18-20-42(6)53-40(51-38)45(34,36)57-55-42/h11-14,27-30,33-40,47H,9-10,15-26H2,1-6H3/t27-,28-,29-,30-,33+,34+,35+,36+,37-,38-,39-,40-,41+,42+,44-,45-/m1/s1
    MOLECULAR FORMULA
    C45H63FO11
    CROSS REFERENCES
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    canSAR836263

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 798.44
    AlogP 7.37
    HBond donors 1
    HBond acceptors 11
    Atoms 120
    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 canSAR836263.