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canSAR114482
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NAMES
    SMILES
    O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2NS(=O)(=O)Cc2ccccc2)CC1)[C@@H]1Cc2ccccc2CN1
    InChI
    InChI=1S/C36H38ClN5O4S/c37-30-16-14-26(15-17-30)22-33(39-35(43)32-23-28-10-4-5-11-29(28)24-38-32)36(44)42-20-18-41(19-21-42)34-13-7-6-12-31(34)40-47(45,46)25-27-8-2-1-3-9-27/h1-17,32-33,38,40H,18-25H2,(H,39,43)/t32-,33+/m0/s1
    MOLECULAR FORMULA
    C36H38ClN5O4S
    CROSS REFERENCES
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    canSAR114482

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 671.23
    AlogP 4.37
    HBond donors 3
    HBond acceptors 9
    Atoms 85
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR114482.