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canSAR2095026
FEATURES
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NAMES
    SMILES
    COC[C@@]12CCO[C@@H]1CCN(Cc1sccc1C)C2.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C15H23NO2S.C2HF3O2/c1-12-4-8-19-13(12)9-16-6-3-14-15(10-16,11-17-2)5-7-18-14;3-2(4,5)1(6)7/h4,8,14H,3,5-7,9-11H2,1-2H3;(H,6,7)/t14-,15+;/m1./s1
    MOLECULAR FORMULA
    C17H24F3NO4S
    CROSS REFERENCES
    2095026 logo

    canSAR2095026

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 395.14
    AlogP 3.32
    HBond donors 1
    HBond acceptors 5
    Atoms 50
    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 canSAR2095026.