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canSAR35159
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NAMES
    SMILES
    Cc1cc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)CSc4cc(Cl)ccc4Cl)[C@H]3SC2)cc(CCc2ccc(Cl)s2)[n+]1CC[C@@H](O)C(=O)O
    InChI
    InChI=1S/C32H30Cl3N3O7S4/c1-16-10-21(12-19(3-4-20-5-7-25(35)49-20)37(16)9-8-23(39)31(42)43)46-13-17-14-48-30-27(29(41)38(30)28(17)32(44)45)36-26(40)15-47-24-11-18(33)2-6-22(24)34/h2,5-7,10-12,23,27,30,39H,3-4,8-9,13-15H2,1H3,(H2-,36,40,42,43,44,45)/p+1/t23-,27-,30-/m1/s1
    MOLECULAR FORMULA
    C32H31Cl3N3O7S4+
    CROSS REFERENCES
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    canSAR35159

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 802.01
    AlogP 5.55
    HBond donors 4
    HBond acceptors 10
    Atoms 80
    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 canSAR35159.