canSAR942127
FEATURES
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NAMES
    SMILES
    CSc1c2sc(C3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)cn2c[n+]1Cc1ccc(C[n+]2ccccc2)cc1.[Br-].[Br-]
    InChI
    InChI=1S/C29H29N4O4S2.2BrH/c1-17-22(25(29(36)37)33-24(17)23(18(2)34)26(33)35)21-15-32-16-31(27(38-3)28(32)39-21)14-20-9-7-19(8-10-20)13-30-11-5-4-6-12-30;;/h4-12,15-18,23-24,34H,13-14H2,1-3H3;2*1H/q+1;;/p-1/t17-,18+,23+,24+;;/m0../s1
    MOLECULAR FORMULA
    C29H30Br2N4O4S2
    CROSS REFERENCES
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    canSAR942127
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight720.01
    AlogP-2.94
    HBond donors2
    HBond acceptors8
    Atoms71
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR942127.