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canSAR1099121
FEATURES
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NAMES
    SMILES
    CS(=O)(=O)c1ccc(C(=O)NCCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1[N+](=O)[O-]
    InChI
    InChI=1S/C22H23F3N4O6S/c1-36(34,35)19-7-2-15(14-18(19)29(32)33)21(31)26-9-8-20(30)28-12-10-27(11-13-28)17-5-3-16(4-6-17)22(23,24)25/h2-7,14H,8-13H2,1H3,(H,26,31)
    MOLECULAR FORMULA
    C22H23F3N4O6S
    CROSS REFERENCES
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    canSAR1099121

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 528.13
    AlogP 2.49
    HBond donors 1
    HBond acceptors 10
    Atoms 59
    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 canSAR1099121.