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canSAR2086460
FEATURES
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NAMES
    SMILES
    O=C(O)C(F)(F)F.O=S(=O)(C1CC1)N1C[C@H]2CCC[C@@]2(COc2ccccn2)C1
    InChI
    InChI=1S/C16H22N2O3S.C2HF3O2/c19-22(20,14-6-7-14)18-10-13-4-3-8-16(13,11-18)12-21-15-5-1-2-9-17-15;3-2(4,5)1(6)7/h1-2,5,9,13-14H,3-4,6-8,10-12H2;(H,6,7)/t13-,16+;/m1./s1
    MOLECULAR FORMULA
    C18H23F3N2O5S
    CROSS REFERENCES
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    canSAR2086460

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 436.13
    AlogP 2.69
    HBond donors 1
    HBond acceptors 7
    Atoms 52
    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 canSAR2086460.