canSAR1809083
FEATURES
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NAMES
    SMILES
    Cn1ncc(NC(=O)c2nc(-c3cccc(C#N)n3)sc2N)c1N1CC[C@@H](N)CC(F)(F)C1
    InChI
    InChI=1S/C20H21F2N9OS/c1-30-19(31-6-5-11(24)7-20(21,22)10-31)14(9-26-30)28-17(32)15-16(25)33-18(29-15)13-4-2-3-12(8-23)27-13/h2-4,9,11H,5-7,10,24-25H2,1H3,(H,28,32)/t11-/m1/s1
    MOLECULAR FORMULA
    C20H21F2N9OS
    CROSS REFERENCES
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    canSAR1809083
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight473.16
    AlogP2.21
    HBond donors5
    HBond acceptors10
    Atoms54
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1809083.