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canSAR1619257
FEATURES
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NAMES
    SMILES
    CCCc1cc(-c2ccccc2)cc(CCC)[n+]1-c1ccc(S(N)(=O)=O)cc1.[O-][Cl+3]([O-])([O-])[O-]
    InChI
    InChI=1S/C23H27N2O2S.ClHO4/c1-3-8-21-16-19(18-10-6-5-7-11-18)17-22(9-4-2)25(21)20-12-14-23(15-13-20)28(24,26)27;2-1(3,4)5/h5-7,10-17H,3-4,8-9H2,1-2H3,(H2,24,26,27);(H,2,3,4,5)/q+1;/p-1
    MOLECULAR FORMULA
    C23H27ClN2O6S
    CROSS REFERENCES
    1619257 logo

    canSAR1619257

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 494.13
    AlogP -0.57
    HBond donors 2
    HBond acceptors 8
    Atoms 60
    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 canSAR1619257.