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canSAR1126387
FEATURES
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NAMES
    SMILES
    Cc1cc(-c2ccc(/C=C3\S/C(=N\c4ccc(F)cc4)NC3=O)o2)c([N+](=O)[O-])cc1C
    InChI
    InChI=1S/C22H16FN3O4S/c1-12-9-17(18(26(28)29)10-13(12)2)19-8-7-16(30-19)11-20-21(27)25-22(31-20)24-15-5-3-14(23)4-6-15/h3-11H,1-2H3,(H,24,25,27)/b20-11-
    MOLECULAR FORMULA
    C22H16FN3O4S
    CROSS REFERENCES
    1126387 logo

    canSAR1126387

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 437.08
    AlogP 5.50
    HBond donors 1
    HBond acceptors 7
    Atoms 47
    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 canSAR1126387.