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canSAR1125587
FEATURES
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NAMES
    SMILES
    C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCS(=O)(=O)CC[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/C34H54O10S/c1-19-7-9-25-21(3)27(37-29-33(25)23(19)11-15-31(5,39-29)41-43-33)13-17-45(35,36)18-14-28-22(4)26-10-8-20(2)24-12-16-32(6)40-30(38-28)34(24,26)44-42-32/h19-30H,7-18H2,1-6H3/t19-,20-,21-,22-,23+,24+,25+,26+,27-,28-,29-,30-,31+,32+,33+,34+/m1/s1
    MOLECULAR FORMULA
    C34H54O10S
    CROSS REFERENCES
    1125587 logo

    canSAR1125587

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 654.34
    AlogP 5.68
    HBond donors 0
    HBond acceptors 10
    Atoms 99
    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 canSAR1125587.