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canSAR1025557
FEATURES
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NAMES
    SMILES
    Cc1ccc(S(=O)(=O)NC(=O)[C@@H](NC2=NC(=O)/C(=C/c3ccccc3)S2)C(C)C)cc1
    InChI
    InChI=1S/C22H23N3O4S2/c1-14(2)19(21(27)25-31(28,29)17-11-9-15(3)10-12-17)23-22-24-20(26)18(30-22)13-16-7-5-4-6-8-16/h4-14,19H,1-3H3,(H,25,27)(H,23,24,26)/b18-13-/t19-/m0/s1
    MOLECULAR FORMULA
    C22H23N3O4S2
    CROSS REFERENCES
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    canSAR1025557

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 457.11
    AlogP 3.08
    HBond donors 2
    HBond acceptors 7
    Atoms 54
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1025557.