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canSAR1066773
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NAMES
    SMILES
    NS(=O)(=O)c1cccc(NC(=O)/C=C/Oc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1
    InChI
    InChI=1S/C25H28N2O4S/c26-32(29,30)23-3-1-2-21(13-23)27-24(28)8-9-31-22-6-4-20(5-7-22)25-14-17-10-18(15-25)12-19(11-17)16-25/h1-9,13,17-19H,10-12,14-16H2,(H,27,28)(H2,26,29,30)/b9-8+
    MOLECULAR FORMULA
    C25H28N2O4S
    CROSS REFERENCES
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    canSAR1066773

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 452.18
    AlogP 4.33
    HBond donors 3
    HBond acceptors 6
    Atoms 60
    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 canSAR1066773.