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canSAR1635391
FEATURES
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NAMES
    SMILES
    O=C(CCS(=O)(=O)Cc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
    InChI
    InChI=1S/C20H23N3O5S/c24-20(10-15-29(27,28)16-17-4-2-1-3-5-17)22-13-11-21(12-14-22)18-6-8-19(9-7-18)23(25)26/h1-9H,10-16H2
    MOLECULAR FORMULA
    C20H23N3O5S
    CROSS REFERENCES
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    canSAR1635391

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 417.14
    AlogP 2.25
    HBond donors 0
    HBond acceptors 8
    Atoms 52
    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 canSAR1635391.