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canSAR1999442
FEATURES
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NAMES
    SMILES
    O=C1NC(=S)NC(=O)C1=Cc1ccc(-c2cccc(C(=O)[O-])c2Cl)o1
    InChI
    InChI=1S/C16H9ClN2O5S/c17-12-8(2-1-3-9(12)15(22)23)11-5-4-7(24-11)6-10-13(20)18-16(25)19-14(10)21/h1-6H,(H,22,23)(H2,18,19,20,21,25)/p-1
    MOLECULAR FORMULA
    C16H8ClN2O5S-
    CROSS REFERENCES
    1999442 logo

    canSAR1999442

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 374.98
    AlogP 0.88
    HBond donors 2
    HBond acceptors 7
    Atoms 33
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1999442.