canSAR941602
FEATURES
Loading...
NAMES
    SMILES
    CSc1c2sc(C3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)cn2c[n+]1Cc1cccc(C[N+]2(C)CCCC2)c1.[Br-].[Br-]
    InChI
    InChI=1S/C29H35N4O4S2.2BrH/c1-17-22(25(29(36)37)32-24(17)23(18(2)34)26(32)35)21-14-31-16-30(27(38-4)28(31)39-21)13-19-8-7-9-20(12-19)15-33(3)10-5-6-11-33;;/h7-9,12,14,16-18,23-24,34H,5-6,10-11,13,15H2,1-4H3;2*1H/q+1;;/p-1/t17-,18+,23+,24+;;/m0../s1
    MOLECULAR FORMULA
    C29H36Br2N4O4S2
    CROSS REFERENCES
    Loading...
    canSAR941602
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight726.05
    AlogP-2.54
    HBond donors2
    HBond acceptors8
    Atoms77
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR941602.