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canSAR1430208
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NAMES
    SMILES
    [N-]=[N+]=NCCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
    InChI
    InChI=1S/C18H15F3N6O2S/c19-18(20,21)17-11-16(13-3-1-12(2-4-13)9-10-24-26-22)27(25-17)14-5-7-15(8-6-14)30(23,28)29/h1-8,11H,9-10H2,(H2,23,28,29)
    MOLECULAR FORMULA
    C18H15F3N6O2S
    CROSS REFERENCES
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    canSAR1430208

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 436.09
    AlogP 4.06
    HBond donors 2
    HBond acceptors 8
    Atoms 45
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1430208.