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canSAR1427099
FEATURES
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NAMES
    SMILES
    COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OS(=O)(=O)c1cc(C)ccc1C
    InChI
    InChI=1S/C22H21N3O5S/c1-15-6-7-16(2)21(11-15)31(27,28)30-19-9-8-17(12-20(19)29-3)13-24-25-22(26)18-5-4-10-23-14-18/h4-14H,1-3H3,(H,25,26)/b24-13+
    MOLECULAR FORMULA
    C22H21N3O5S
    CROSS REFERENCES
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    canSAR1427099

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 439.12
    AlogP 3.24
    HBond donors 1
    HBond acceptors 8
    Atoms 52
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1427099.