canSAR1746744
FEATURES
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NAMES
    SMILES
    CC1CCN(c2ccc(S(=O)(=O)NC3=NCCCCC3)cc2[N+](=O)[O-])CC1
    InChI
    InChI=1S/C18H26N4O4S/c1-14-8-11-21(12-9-14)16-7-6-15(13-17(16)22(23)24)27(25,26)20-18-5-3-2-4-10-19-18/h6-7,13-14H,2-5,8-12H2,1H3,(H,19,20)
    MOLECULAR FORMULA
    C18H26N4O4S
    CROSS REFERENCES
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    canSAR1746744
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight394.17
    AlogP3.08
    HBond donors1
    HBond acceptors8
    Atoms53
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1746744.