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canSAR833067
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NAMES
    SMILES
    CC(C)(O/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccc(N)n3CCCF)CS[C@H]12)c1nsc(N)n1)C(=O)O
    InChI
    InChI=1S/C22H26FN9O7S2/c1-22(2,20(37)38)39-28-12(15-27-21(25)41-29-15)16(33)26-13-17(34)32-14(19(35)36)10(9-40-18(13)32)8-30-7-4-11(24)31(30)6-3-5-23/h4,7,13,18,24H,3,5-6,8-9H2,1-2H3,(H5,25,26,27,29,33,35,36,37,38)/b28-12-/t13-,18-/m1/s1
    MOLECULAR FORMULA
    C22H26FN9O7S2
    CROSS REFERENCES
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    canSAR833067

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 611.14
    AlogP -2.16
    HBond donors 6
    HBond acceptors 16
    Atoms 67
    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 canSAR833067.