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canSAR1146523
FEATURES
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NAMES
    SMILES
    C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Cc3cc4c(cc3C[C@H]3O[C@@H]5O[C@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]3C)[C@]75OO6)COP(=O)(Oc3ccccc3)OC4)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4
    InChI
    InChI=1S/C46H61O12P/c1-26-12-14-37-28(3)39(50-41-45(37)35(26)16-18-43(5,52-41)55-57-45)22-30-20-32-24-48-59(47,54-34-10-8-7-9-11-34)49-25-33(32)21-31(30)23-40-29(4)38-15-13-27(2)36-17-19-44(6)53-42(51-40)46(36,38)58-56-44/h7-11,20-21,26-29,35-42H,12-19,22-25H2,1-6H3/t26-,27-,28-,29-,35+,36+,37+,38+,39-,40-,41-,42-,43+,44+,45-,46-/m1/s1
    MOLECULAR FORMULA
    C46H61O12P
    CROSS REFERENCES
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    canSAR1146523

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 836.39
    AlogP 9.51
    HBond donors 0
    HBond acceptors 12
    Atoms 120
    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 canSAR1146523.