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canSAR342974
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NAMES
    SMILES
    CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)OC1C(OC(=O)O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C
    InChI
    InChI=1S/C36H50O9/c1-19(2)24-13-9-21(5)17-27(24)40-34(38)43-32-30-26(15-11-23-12-16-29(37)42-31(23)30)45-36(7,8)33(32)44-35(39)41-28-18-22(6)10-14-25(28)20(3)4/h11-12,15-16,19-22,24-25,27-28,32-33H,9-10,13-14,17-18H2,1-8H3/t21-,22+,24+,25-,27-,28+,32?,33?/m0/s1
    MOLECULAR FORMULA
    C36H50O9
    CROSS REFERENCES
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    canSAR342974

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 626.35
    AlogP 8.60
    HBond donors 0
    HBond acceptors 9
    Atoms 95
    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 canSAR342974.