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canSAR550785
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NAMES
    SMILES
    Cc1cc(C[C@H](NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)c2nc3ccccc3[nH]2)ccc1[C@@H]1CC(=O)[N-]S1(=O)=O.[Na+]
    InChI
    InChI=1S/C26H22BrF3N4O5S2.Na/c1-14-10-15(6-8-17(14)23-13-24(35)34-41(23,38)39)11-22(25-31-20-4-2-3-5-21(20)32-25)33-40(36,37)16-7-9-19(27)18(12-16)26(28,29)30;/h2-10,12,22-23,33H,11,13H2,1H3,(H2,31,32,34,35);/q;+1/p-1/t22-,23-;/m0./s1
    MOLECULAR FORMULA
    C26H21BrF3N4NaO5S2
    CROSS REFERENCES
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    canSAR550785

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 692.00
    AlogP 2.59
    HBond donors 2
    HBond acceptors 9
    Atoms 63
    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 canSAR550785.