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canSAR92401
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NAMES
    SMILES
    O=C(O)Cc1nn(C/C(S)=N/c2cccc(C(F)(F)F)c2)c(=O)c2ccccc12
    InChI
    InChI=1S/C19H14F3N3O3S/c20-19(21,22)11-4-3-5-12(8-11)23-16(29)10-25-18(28)14-7-2-1-6-13(14)15(24-25)9-17(26)27/h1-8H,9-10H2,(H,23,29)(H,26,27)
    MOLECULAR FORMULA
    C19H14F3N3O3S
    CROSS REFERENCES
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    canSAR92401

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 421.07
    AlogP 3.70
    HBond donors 1
    HBond acceptors 6
    Atoms 43
    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 canSAR92401.