canSAR2079895
FEATURES
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NAMES
    SMILES
    Cn1c(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3)C2)nnc1-c1cncc(C(N)=O)c1
    InChI
    InChI=1S/C23H25F3N6O2S/c1-31-21(17-11-16(20(27)33)12-28-13-17)29-30-22(31)35-10-2-7-32-8-9-34-19(14-32)15-3-5-18(6-4-15)23(24,25)26/h3-6,11-13,19H,2,7-10,14H2,1H3,(H2,27,33)
    MOLECULAR FORMULA
    C23H25F3N6O2S
    CROSS REFERENCES
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    canSAR2079895
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight506.17
    AlogP3.55
    HBond donors2
    HBond acceptors8
    Atoms60
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2079895.