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canSAR463736
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NAMES
    SMILES
    CCOC(=O)C1=C(c2ccc([N+](=O)[O-])cc2)NC(C)=C(C(=O)SCc2ccccc2)C1CC
    InChI
    InChI=1S/C25H26N2O5S/c1-4-20-21(25(29)33-15-17-9-7-6-8-10-17)16(3)26-23(22(20)24(28)32-5-2)18-11-13-19(14-12-18)27(30)31/h6-14,20,26H,4-5,15H2,1-3H3
    MOLECULAR FORMULA
    C25H26N2O5S
    CROSS REFERENCES
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    canSAR463736

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 466.16
    AlogP 5.23
    HBond donors 1
    HBond acceptors 7
    Atoms 59
    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 canSAR463736.