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canSAR2085086
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NAMES
    SMILES
    CS(=O)(=O)NC[C@H]1OC[C@H]2CN(Cc3ccsc3)CC[C@@H]12.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C14H22N2O3S2.C2HF3O2/c1-21(17,18)15-6-14-13-2-4-16(8-12(13)9-19-14)7-11-3-5-20-10-11;3-2(4,5)1(6)7/h3,5,10,12-15H,2,4,6-9H2,1H3;(H,6,7)/t12-,13-,14-;/m1./s1
    MOLECULAR FORMULA
    C16H23F3N2O5S2
    CROSS REFERENCES
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    canSAR2085086

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 444.10
    AlogP 1.77
    HBond donors 2
    HBond acceptors 7
    Atoms 51
    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 canSAR2085086.