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canSAR780182
FEATURES
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NAMES
    SMILES
    CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(c2ccccc2)C(=O)O1)S(=O)(=O)c1ccc(CO)cc1
    InChI
    InChI=1S/C31H37N3O7S/c1-22(2)18-33(42(39,40)26-15-13-24(21-35)14-16-26)19-28(36)27(17-23-9-5-3-6-10-23)32-30(37)29-20-34(31(38)41-29)25-11-7-4-8-12-25/h3-16,22,27-29,35-36H,17-21H2,1-2H3,(H,32,37)/t27-,28+,29-/m0/s1
    MOLECULAR FORMULA
    C31H37N3O7S
    CROSS REFERENCES
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    canSAR780182

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 595.24
    AlogP 2.94
    HBond donors 3
    HBond acceptors 10
    Atoms 79
    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 canSAR780182.