canSAR2165708
FEATURES
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NAMES
    SMILES
    O=C(Nc1sc(N2CCC(N3CC(F)C3)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12
    InChI
    InChI=1S/C25H23ClF3N7O2S/c26-14-2-3-19(38-24(28)29)17(10-14)20-23(33-22(37)18-11-31-36-7-1-6-30-21(18)36)39-25(32-20)34-8-4-16(5-9-34)35-12-15(27)13-35/h1-3,6-7,10-11,15-16,24H,4-5,8-9,12-13H2,(H,33,37)
    MOLECULAR FORMULA
    C25H23ClF3N7O2S
    CROSS REFERENCES
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    canSAR2165708
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight577.13
    AlogP4.98
    HBond donors1
    HBond acceptors9
    Atoms62
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2165708.