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canSAR1963855
FEATURES
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NAMES
    SMILES
    C[S+](=O)([O-])c1ccc([C@@H](O)[C@@H](COC(=O)CN)NC(=O)C(Cl)Cl)cc1
    InChI
    InChI=1S/C14H18Cl2N2O6S/c1-25(22,23)9-4-2-8(3-5-9)12(20)10(7-24-11(19)6-17)18-14(21)13(15)16/h2-5,10,12-13,20H,6-7,17H2,1H3,(H-,18,21,22,23)/t10-,12-/m1/s1
    MOLECULAR FORMULA
    C14H18Cl2N2O6S
    CROSS REFERENCES
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    canSAR1963855

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 412.03
    AlogP 0.13
    HBond donors 4
    HBond acceptors 8
    Atoms 43
    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 canSAR1963855.