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canSAR785028
FEATURES
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NAMES
    SMILES
    COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OS(C)(=O)=O)CC[C@@H]12
    InChI
    InChI=1S/C20H28O5S/c1-20-9-8-13-14(16(20)6-7-19(20)25-26(3,22)23)5-4-12-10-17(21)18(24-2)11-15(12)13/h10-11,13-14,16,19,21H,4-9H2,1-3H3/t13-,14+,16-,19-,20-/m0/s1
    MOLECULAR FORMULA
    C20H28O5S
    CROSS REFERENCES
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    canSAR785028

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 380.17
    AlogP 3.60
    HBond donors 1
    HBond acceptors 5
    Atoms 54
    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 canSAR785028.