canSAR2197169
FEATURES
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NAMES
    SMILES
    O=C(Nc1ccc(SC(F)(F)F)c(F)c1)c1cnc(N2CC[C@@H](O)C2)c(-c2cncnc2)c1
    InChI
    InChI=1S/C21H17F4N5O2S/c22-17-6-14(1-2-18(17)33-21(23,24)25)29-20(32)12-5-16(13-7-26-11-27-8-13)19(28-9-12)30-4-3-15(31)10-30/h1-2,5-9,11,15,31H,3-4,10H2,(H,29,32)/t15-/m1/s1
    MOLECULAR FORMULA
    C21H17F4N5O2S
    CROSS REFERENCES
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    canSAR2197169
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight479.10
    AlogP4.11
    HBond donors2
    HBond acceptors7
    Atoms50
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2197169.