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canSAR1979948
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NAMES
    SMILES
    CN(C)CCCNc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CC(C)(C)CC4)CC3)cc2Oc2ccc3[nH]ccc3c2)cc1C#N
    InChI
    InChI=1S/C46H52ClN7O4S/c1-46(2)18-16-34(41(29-46)32-6-8-36(47)9-7-32)31-53-22-24-54(25-23-53)37-10-13-40(44(28-37)58-38-11-14-42-33(26-38)17-20-50-42)45(55)51-59(56,57)39-12-15-43(35(27-39)30-48)49-19-5-21-52(3)4/h6-15,17,20,26-28,49-50H,5,16,18-19,21-25,29,31H2,1-4H3,(H,51,55)
    MOLECULAR FORMULA
    C46H52ClN7O4S
    CROSS REFERENCES
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    canSAR1979948

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 833.35
    AlogP 8.75
    HBond donors 3
    HBond acceptors 11
    Atoms 111
    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 canSAR1979948.