canSAR1084947
FEATURES
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NAMES
    SMILES
    Cc1c(CCOCCCO[N+](=O)[O-])cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(F)c1
    InChI
    InChI=1S/C23H25FN2O6S/c1-17-19(11-14-31-12-4-13-32-26(27)28)15-23(25(17)21-6-3-5-20(24)16-21)18-7-9-22(10-8-18)33(2,29)30/h3,5-10,15-16H,4,11-14H2,1-2H3
    MOLECULAR FORMULA
    C23H25FN2O6S
    CROSS REFERENCES
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    canSAR1084947
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight476.14
    AlogP4.15
    HBond donors0
    HBond acceptors8
    Atoms58
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1084947.