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canSAR1831781
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NAMES
    SMILES
    O=C(Nc1ccc(N2CCOCC2)cc1)C1CCCCN1S(=O)(=O)c1ccccc1
    InChI
    InChI=1S/C22H27N3O4S/c26-22(23-18-9-11-19(12-10-18)24-14-16-29-17-15-24)21-8-4-5-13-25(21)30(27,28)20-6-2-1-3-7-20/h1-3,6-7,9-12,21H,4-5,8,13-17H2,(H,23,26)
    MOLECULAR FORMULA
    C22H27N3O4S
    CROSS REFERENCES
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    canSAR1831781

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 429.17
    AlogP 2.71
    HBond donors 1
    HBond acceptors 7
    Atoms 57
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1831781.