canSAR2257506
FEATURES
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NAMES
    SMILES
    O=C(NCc1ccc(C(F)(F)F)cc1)c1cnc2c(SSc3cccc4cc(C(=O)NCc5ccc(C(F)(F)F)cc5)cnc34)cccc2c1
    InChI
    InChI=1S/C36H24F6N4O2S2/c37-35(38,39)27-11-7-21(8-12-27)17-45-33(47)25-15-23-3-1-5-29(31(23)43-19-25)49-50-30-6-2-4-24-16-26(20-44-32(24)30)34(48)46-18-22-9-13-28(14-10-22)36(40,41)42/h1-16,19-20H,17-18H2,(H,45,47)(H,46,48)
    MOLECULAR FORMULA
    C36H24F6N4O2S2
    CROSS REFERENCES
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    canSAR2257506
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight722.12
    AlogP9.48
    HBond donors2
    HBond acceptors6
    Atoms74
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2257506.