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canSAR984479
FEATURES
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NAMES
    SMILES
    CCOC(=O)[C@]1(O)C=C(OCc2cc3ccc(Cl)cc3s2)[C@@H](O)[C@H](O)C1
    InChI
    InChI=1S/C18H19ClO6S/c1-2-24-17(22)18(23)7-13(20)16(21)14(8-18)25-9-12-5-10-3-4-11(19)6-15(10)26-12/h3-6,8,13,16,20-21,23H,2,7,9H2,1H3/t13-,16+,18-/m1/s1
    MOLECULAR FORMULA
    C18H19ClO6S
    CROSS REFERENCES
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    canSAR984479

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 398.06
    AlogP 2.37
    HBond donors 3
    HBond acceptors 6
    Atoms 45
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR984479.