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canSAR829351
FEATURES
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NAMES
    SMILES
    C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(Cl)cc1
    InChI
    InChI=1S/C27H33ClO5S/c1-26-13-11-19(29)15-17(26)3-8-21-22-9-10-24(27(22,2)14-12-23(21)26)25(30)16-33-34(31,32)20-6-4-18(28)5-7-20/h4-7,15,21-24H,3,8-14,16H2,1-2H3/t21-,22-,23-,24+,26-,27-/m0/s1
    MOLECULAR FORMULA
    C27H33ClO5S
    CROSS REFERENCES
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    canSAR829351

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 504.17
    AlogP 5.76
    HBond donors 0
    HBond acceptors 5
    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 canSAR829351.