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canSAR560686
FEATURES
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NAMES
    SMILES
    CN(C)C(=O)n1cc(/C(=N/OC(=O)C[N+](C)(C)C)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21
    InChI
    InChI=1S/C34H34FN6O3S/c1-38(2)34(43)40-19-28(26-13-10-23(17-29(26)40)22-8-11-25(35)12-9-22)32(37-44-31(42)20-41(3,4)5)27-14-16-39-30(27)21-45-33(39)24-7-6-15-36-18-24/h6-19,33H,20-21H2,1-5H3/q+1/b37-32+/t33-/m1/s1
    MOLECULAR FORMULA
    C34H34FN6O3S+
    CROSS REFERENCES
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    canSAR560686

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 625.24
    AlogP 5.97
    HBond donors 0
    HBond acceptors 9
    Atoms 79
    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 canSAR560686.