canSAR2232471
FEATURES
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NAMES
    SMILES
    O=C(Nc1ccc(SC(F)(F)F)nc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cncnc2)c1
    InChI
    InChI=1S/C20H17F3N6O2S/c21-20(22,23)32-17-2-1-14(9-26-17)28-19(31)12-5-16(13-6-24-11-25-7-13)18(27-8-12)29-4-3-15(30)10-29/h1-2,5-9,11,15,30H,3-4,10H2,(H,28,31)/t15-/m1/s1
    MOLECULAR FORMULA
    C20H17F3N6O2S
    CROSS REFERENCES
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    canSAR2232471
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight462.11
    AlogP3.37
    HBond donors2
    HBond acceptors8
    Atoms49
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2232471.