canSAR2100603
FEATURES
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NAMES
    SMILES
    CC(F)(F)C(=O)N1CCC(CC#N)(n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)CC1
    InChI
    InChI=1S/C19H20F3N7O2/c1-18(21,22)17(31)28-8-4-19(3-6-23,5-9-28)29-11-13(15(24)30)16(27-29)26-12-2-7-25-14(20)10-12/h2,7,10-11H,3-5,8-9H2,1H3,(H2,24,30)(H,25,26,27)
    MOLECULAR FORMULA
    C19H20F3N7O2
    CROSS REFERENCES
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    canSAR2100603
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight435.16
    AlogP2.15
    HBond donors3
    HBond acceptors9
    Atoms51
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2100603.