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canSAR560913
FEATURES
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NAMES
    SMILES
    CC(C)c1nc(-c2cccs2)cc(-c2ccc(F)cc2)c1C#CP(=O)([O-])C[C@H](O)CC(=O)[O-].[Na+].[Na+]
    InChI
    InChI=1S/C24H23FNO5PS.2Na/c1-15(2)24-19(9-10-32(30,31)14-18(27)12-23(28)29)20(16-5-7-17(25)8-6-16)13-21(26-24)22-4-3-11-33-22;;/h3-8,11,13,15,18,27H,12,14H2,1-2H3,(H,28,29)(H,30,31);;/q;2*+1/p-2/t18-;;/m1../s1
    MOLECULAR FORMULA
    C24H21FNNa2O5PS
    CROSS REFERENCES
    560913 logo

    canSAR560913

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 531.07
    AlogP -2.80
    HBond donors 1
    HBond acceptors 6
    Atoms 56
    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 canSAR560913.