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canSAR781998
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NAMES
    SMILES
    CN(C)CCC(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(C(F)(F)F)cc4)CC3)cc2)cc1[N+](=O)[O-]
    InChI
    InChI=1S/C43H45F3N6O5S2/c1-49(2)23-22-35(30-58-37-9-4-3-5-10-37)47-40-21-20-38(28-41(40)52(54)55)59(56,57)48-42(53)32-14-18-36(19-15-32)51-26-24-50(25-27-51)29-33-8-6-7-11-39(33)31-12-16-34(17-13-31)43(44,45)46/h3-21,28,35,47H,22-27,29-30H2,1-2H3,(H,48,53)
    MOLECULAR FORMULA
    C43H45F3N6O5S2
    CROSS REFERENCES
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    canSAR781998

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 846.28
    AlogP 8.25
    HBond donors 2
    HBond acceptors 11
    Atoms 104
    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 canSAR781998.