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canSAR1099948
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NAMES
    SMILES
    COc1ccc2c(c1)nc(Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])n2Cc1cc(-c2ccc(F)cc2)no1
    InChI
    InChI=1S/C24H16FN5O6S/c1-35-17-7-8-21-20(11-17)26-24(37-23-9-6-16(29(31)32)10-22(23)30(33)34)28(21)13-18-12-19(27-36-18)14-2-4-15(25)5-3-14/h2-12H,13H2,1H3
    MOLECULAR FORMULA
    C24H16FN5O6S
    CROSS REFERENCES
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    canSAR1099948

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 521.08
    AlogP 5.85
    HBond donors 0
    HBond acceptors 11
    Atoms 53
    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 canSAR1099948.