canSAR1084516
FEATURES
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NAMES
    SMILES
    CS(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCC(c3ccccc3)CC2)cc1[N+](=O)[O-]
    InChI
    InChI=1S/C21H23N3O6S/c1-31(29,30)19-8-7-17(13-18(19)24(27)28)21(26)22-14-20(25)23-11-9-16(10-12-23)15-5-3-2-4-6-15/h2-8,13,16H,9-12,14H2,1H3,(H,22,26)
    MOLECULAR FORMULA
    C21H23N3O6S
    CROSS REFERENCES
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    canSAR1084516
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight445.13
    AlogP2.13
    HBond donors1
    HBond acceptors9
    Atoms54
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1084516.