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canSAR2088818
FEATURES
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NAMES
    SMILES
    Cc1ccc(N2C[C@H]3OCC[C@H]3[C@H](C(=O)NCC3CC3)C2)nn1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C17H24N4O2.C2HF3O2/c1-11-2-5-16(20-19-11)21-9-14(13-6-7-23-15(13)10-21)17(22)18-8-12-3-4-12;3-2(4,5)1(6)7/h2,5,12-15H,3-4,6-10H2,1H3,(H,18,22);(H,6,7)/t13-,14+,15+;/m0./s1
    MOLECULAR FORMULA
    C19H25F3N4O4
    CROSS REFERENCES
    2088818 logo

    canSAR2088818

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 430.18
    AlogP 1.79
    HBond donors 2
    HBond acceptors 8
    Atoms 55
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2088818.