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canSAR1967462
FEATURES
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NAMES
    SMILES
    C#CCNC(=O)[C@H](Cc1ccc(OS(=O)(=O)C=C)cc1)NC(=O)c1cc(F)c(F)c(OC)c1F
    InChI
    InChI=1S/C22H19F3N2O6S/c1-4-10-26-22(29)17(11-13-6-8-14(9-7-13)33-34(30,31)5-2)27-21(28)15-12-16(23)19(25)20(32-3)18(15)24/h1,5-9,12,17H,2,10-11H2,3H3,(H,26,29)(H,27,28)/t17-/m0/s1
    MOLECULAR FORMULA
    C22H19F3N2O6S
    CROSS REFERENCES
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    canSAR1967462

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 496.09
    AlogP 2.06
    HBond donors 2
    HBond acceptors 8
    Atoms 53
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1967462.