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canSAR829481
FEATURES
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NAMES
    SMILES
    CCC(=O)OC[C@@]1(C)[C@H]2CC[C@@]3(CO3)[C@@H](C/C=C3/C(=O)OC[C@H]3OC(=O)/C=C/c3ccccc3)[C@]2(C)CC[C@H]1OC(=O)CC
    InChI
    InChI=1S/C35H44O9/c1-5-29(36)41-21-34(4)26-16-19-35(22-42-35)27(33(26,3)18-17-28(34)44-30(37)6-2)14-13-24-25(20-40-32(24)39)43-31(38)15-12-23-10-8-7-9-11-23/h7-13,15,25-28H,5-6,14,16-22H2,1-4H3/b15-12+,24-13+/t25-,26+,27+,28-,33-,34+,35-/m1/s1
    MOLECULAR FORMULA
    C35H44O9
    CROSS REFERENCES
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    canSAR829481

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 608.30
    AlogP 5.36
    HBond donors 0
    HBond acceptors 9
    Atoms 88
    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 canSAR829481.