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canSAR993678
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NAMES
    SMILES
    C[C@]12CC[C@H]3[C@@H](C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]35C)[C@@H]1CC[C@@H]2C(=O)/C=C/c1ccc(Cl)cc1Cl
    InChI
    InChI=1S/C28H34Cl2O3/c1-26-11-10-21-19(14-25-28(33-25)15-18(31)9-12-27(21,28)2)20(26)6-7-22(26)24(32)8-4-16-3-5-17(29)13-23(16)30/h3-5,8,13,18-22,25,31H,6-7,9-12,14-15H2,1-2H3/b8-4+/t18-,19-,20-,21-,22+,25-,26-,27+,28-/m0/s1
    MOLECULAR FORMULA
    C28H34Cl2O3
    CROSS REFERENCES
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    canSAR993678

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 488.19
    AlogP 6.73
    HBond donors 1
    HBond acceptors 3
    Atoms 67
    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 canSAR993678.