canSAR2181057
FEATURES
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NAMES
    SMILES
    CN1C(=N)N[C@](C)(c2cc(NC(=S)C(F)F)cc(F)c2F)CS1(=O)=O
    InChI
    InChI=1S/C13H14F4N4O2S2/c1-13(5-25(22,23)21(2)12(18)20-13)7-3-6(4-8(14)9(7)15)19-11(24)10(16)17/h3-4,10H,5H2,1-2H3,(H2,18,20)(H,19,24)/t13-/m0/s1
    MOLECULAR FORMULA
    C13H14F4N4O2S2
    CROSS REFERENCES
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    canSAR2181057
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight398.05
    AlogP1.98
    HBond donors3
    HBond acceptors6
    Atoms39
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2181057.