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canSAR1724853
FEATURES
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NAMES
    SMILES
    CC(C)c1cc(C(=O)O)nc(N2C[C@H]3C[C@@H](c4ccccc4C(F)(F)F)C[C@H]3C2)n1
    InChI
    InChI=1S/C22H24F3N3O2/c1-12(2)18-9-19(20(29)30)27-21(26-18)28-10-14-7-13(8-15(14)11-28)16-5-3-4-6-17(16)22(23,24)25/h3-6,9,12-15H,7-8,10-11H2,1-2H3,(H,29,30)/t13-,14-,15+
    MOLECULAR FORMULA
    C22H24F3N3O2
    CROSS REFERENCES
    1724853 logo

    canSAR1724853

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 419.18
    AlogP 4.95
    HBond donors 1
    HBond acceptors 5
    Atoms 54
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1724853.