canSAR1651681
FEATURES
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NAMES
    SMILES
    N#C[C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(OC(F)F)nc2)n1
    InChI
    InChI=1S/C17H18F2N6O2/c18-17(19)27-14-6-5-11(8-22-14)23-16-12(15(21)26)9-25(24-16)13-4-2-1-3-10(13)7-20/h5-6,8-10,13,17H,1-4H2,(H2,21,26)(H,23,24)/t10-,13+/m1/s1
    MOLECULAR FORMULA
    C17H18F2N6O2
    CROSS REFERENCES
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    canSAR1651681
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight376.15
    AlogP2.98
    HBond donors3
    HBond acceptors8
    Atoms45
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1651681.