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canSAR563650
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NAMES
    SMILES
    CC(C)c1nc(C(c2ccccc2)c2ccccc2)cc(-c2ccc(F)cc2)c1C#CP(=O)([O-])C[C@H](O)CC(=O)[O-].[Na+].[Na+]
    InChI
    InChI=1S/C33H31FNO5P.2Na/c1-22(2)33-28(17-18-41(39,40)21-27(36)19-31(37)38)29(23-13-15-26(34)16-14-23)20-30(35-33)32(24-9-5-3-6-10-24)25-11-7-4-8-12-25;;/h3-16,20,22,27,32,36H,19,21H2,1-2H3,(H,37,38)(H,39,40);;/q;2*+1/p-2/t27-;;/m1../s1
    MOLECULAR FORMULA
    C33H29FNNa2O5P
    CROSS REFERENCES
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    canSAR563650

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 615.16
    AlogP -1.35
    HBond donors 1
    HBond acceptors 6
    Atoms 72
    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 canSAR563650.