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canSAR1530628
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NAMES
    SMILES
    C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)Cc3ccccc3)ccc2O[C@H]1CN(C)S(=O)(=O)c1ccccc1
    InChI
    InChI=1S/C31H37N3O6S/c1-22-19-34(23(2)21-35)31(37)18-25-17-26(32-30(36)16-24-10-6-4-7-11-24)14-15-28(25)40-29(22)20-33(3)41(38,39)27-12-8-5-9-13-27/h4-15,17,22-23,29,35H,16,18-21H2,1-3H3,(H,32,36)/t22-,23+,29-/m0/s1
    MOLECULAR FORMULA
    C31H37N3O6S
    CROSS REFERENCES
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    canSAR1530628

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 579.24
    AlogP 3.34
    HBond donors 2
    HBond acceptors 9
    Atoms 78
    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 canSAR1530628.