canSAR2179420
FEATURES
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NAMES
    SMILES
    N#C[C@@H]1CCCCC1n1cc(C(=N)O)c(Nc2ccc(S(=O)(=O)C(F)F)c(CO)c2)n1
    InChI
    InChI=1S/C19H21F2N5O4S/c20-19(21)31(29,30)16-6-5-13(7-12(16)10-27)24-18-14(17(23)28)9-26(25-18)15-4-2-1-3-11(15)8-22/h5-7,9,11,15,19,27H,1-4,10H2,(H2,23,28)(H,24,25)/t11-,15?/m0/s1
    MOLECULAR FORMULA
    C19H21F2N5O4S
    CROSS REFERENCES
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    canSAR2179420
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight453.13
    AlogP3.25
    HBond donors4
    HBond acceptors9
    Atoms52
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2179420.