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canSAR500547
FEATURES
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NAMES
    SMILES
    O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@H]1CCOc2cc(CN3CCCCC3)ccc21
    InChI
    InChI=1S/C34H37N3O4S/c38-34(35-31-17-20-41-33-21-25(13-16-30(31)33)24-37-18-7-2-8-19-37)23-32(27-10-3-1-4-11-27)36-42(39,40)29-15-14-26-9-5-6-12-28(26)22-29/h1,3-6,9-16,21-22,31-32,36H,2,7-8,17-20,23-24H2,(H,35,38)/t31-,32+/m0/s1
    MOLECULAR FORMULA
    C34H37N3O4S
    CROSS REFERENCES
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    canSAR500547

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 583.25
    AlogP 5.88
    HBond donors 2
    HBond acceptors 7
    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 canSAR500547.