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canSAR1533338
FEATURES
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NAMES
    SMILES
    O=C([O-])c1ccc(-c2ccc(/C=C3/S/C(=N\c4ccccc4)N(c4ccccc4)C3=O)o2)cc1O
    InChI
    InChI=1S/C27H18N2O5S/c30-22-15-17(11-13-21(22)26(32)33)23-14-12-20(34-23)16-24-25(31)29(19-9-5-2-6-10-19)27(35-24)28-18-7-3-1-4-8-18/h1-16,30H,(H,32,33)/p-1/b24-16+,28-27-
    MOLECULAR FORMULA
    C27H17N2O5S-
    CROSS REFERENCES
    1533338 logo

    canSAR1533338

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 481.09
    AlogP 4.82
    HBond donors 1
    HBond acceptors 7
    Atoms 52
    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 canSAR1533338.