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canSAR2093594
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NAMES
    SMILES
    O=C(NC[C@]12COC[C@H]1CN(Cc1nccs1)C2)c1ccsc1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C16H19N3O2S2.C2HF3O2/c20-15(12-1-3-22-8-12)18-9-16-10-19(5-13(16)7-21-11-16)6-14-17-2-4-23-14;3-2(4,5)1(6)7/h1-4,8,13H,5-7,9-11H2,(H,18,20);(H,6,7)/t13-,16+;/m1./s1
    MOLECULAR FORMULA
    C18H20F3N3O4S2
    CROSS REFERENCES
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    canSAR2093594

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 463.08
    AlogP 2.72
    HBond donors 2
    HBond acceptors 7
    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 canSAR2093594.