canSAR2095827
FEATURES
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NAMES
    SMILES
    CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1CN(C2COC2)C1
    InChI
    InChI=1S/C18H22F3N5O/c1-10(2)26-16(12-6-25(7-12)13-8-27-9-13)4-15(24-26)11-3-14(18(19,20)21)17(22)23-5-11/h3-5,10,12-13H,6-9H2,1-2H3,(H2,22,23)
    MOLECULAR FORMULA
    C18H22F3N5O
    CROSS REFERENCES
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    canSAR2095827
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight381.18
    AlogP2.92
    HBond donors2
    HBond acceptors6
    Atoms49
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2095827.