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canSAR2256347
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NAMES
    SMILES
    COc1ccnc(C[S@+]([O-])c2nc3ccc(OC(F)F)cc3[n-]2)c1OC.[Na+]
    InChI
    InChI=1S/C16H14F2N3O4S.Na/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16;/h3-7,15H,8H2,1-2H3;/q-1;+1/t26-;/m0./s1
    MOLECULAR FORMULA
    C16H14F2N3NaO4S
    CROSS REFERENCES
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    canSAR2256347

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 405.06
    AlogP -0.48
    HBond donors 0
    HBond acceptors 7
    Atoms 41
    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 canSAR2256347.