canSAR1416955
FEATURES
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NAMES
    SMILES
    O=C(N1CCc2cc(S(=O)(=O)NC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)ccc2C1)C(F)(F)F
    InChI
    InChI=1S/C20H21F3N4O8S/c21-20(22,23)18(31)26-5-3-10-7-12(2-1-11(10)9-26)36(33,34)24-8-13-15(29)16(30)17(35-13)27-6-4-14(28)25-19(27)32/h1-2,4,6-7,13,15-17,24,29-30H,3,5,8-9H2,(H,25,28,32)/t13-,15-,16-,17-/m1/s1
    MOLECULAR FORMULA
    C20H21F3N4O8S
    CROSS REFERENCES
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    canSAR1416955
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight534.10
    AlogP-1.42
    HBond donors4
    HBond acceptors12
    Atoms57
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1416955.