canSAR1087395
FEATURES
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NAMES
    SMILES
    C[C@@H]1CN(c2ccc(F)cc2C(F)(F)F)CCN1S(=O)(=O)c1ccc(C(O)(c2nnc[nH]2)C(F)(F)F)s1
    InChI
    InChI=1S/C20H18F7N5O3S2/c1-11-9-31(14-3-2-12(21)8-13(14)19(22,23)24)6-7-32(11)37(34,35)16-5-4-15(36-16)18(33,20(25,26)27)17-28-10-29-30-17/h2-5,8,10-11,33H,6-7,9H2,1H3,(H,28,29,30)/t11-,18?/m1/s1
    MOLECULAR FORMULA
    C20H18F7N5O3S2
    CROSS REFERENCES
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    canSAR1087395
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight573.07
    AlogP3.72
    HBond donors2
    HBond acceptors8
    Atoms55
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1087395.