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canSAR1512081
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NAMES
    SMILES
    O=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1
    InChI
    InChI=1S/C22H14F3N3O4S/c23-22(24,25)15-6-4-13(5-7-15)10-17-12-26-21(33-17)27-20(29)19-9-8-18(32-19)14-2-1-3-16(11-14)28(30)31/h1-9,11-12H,10H2,(H,26,27,29)
    MOLECULAR FORMULA
    C22H14F3N3O4S
    CROSS REFERENCES
    1512081 logo

    canSAR1512081

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 473.07
    AlogP 6.17
    HBond donors 1
    HBond acceptors 7
    Atoms 47
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1512081.