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canSAR650392
FEATURES
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NAMES
    SMILES
    O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccc(-c3ccccc3)s2)CC1
    InChI
    InChI=1S/C22H21N3O4S/c26-22(29-19-8-6-18(7-9-19)25(27)28)24-14-12-23(13-15-24)16-20-10-11-21(30-20)17-4-2-1-3-5-17/h1-11H,12-16H2
    MOLECULAR FORMULA
    C22H21N3O4S
    CROSS REFERENCES
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    canSAR650392

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 423.13
    AlogP 4.64
    HBond donors 0
    HBond acceptors 7
    Atoms 51
    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 canSAR650392.