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canSAR1524542
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NAMES
    SMILES
    COc1ccc(/C(=C\c2ccc(SC)cc2)C(=O)NCc2ccc(C(=O)NO)cc2)cc1
    InChI
    InChI=1S/C25H24N2O4S/c1-31-21-11-9-19(10-12-21)23(15-17-5-13-22(32-2)14-6-17)25(29)26-16-18-3-7-20(8-4-18)24(28)27-30/h3-15,30H,16H2,1-2H3,(H,26,29)(H,27,28)/b23-15+
    MOLECULAR FORMULA
    C25H24N2O4S
    CROSS REFERENCES
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    canSAR1524542

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 448.15
    AlogP 4.39
    HBond donors 3
    HBond acceptors 6
    Atoms 56
    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 canSAR1524542.