canSAR543301
FEATURES
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NAMES
    SMILES
    C[S+](C)CC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O.[Br-]
    InChI
    InChI=1S/C25H30N2O6S.BrH/c1-34(2)17-20(28)13-14-21(24(30)31)26-23(29)22(15-18-9-5-3-6-10-18)27-25(32)33-16-19-11-7-4-8-12-19;/h3-12,21-22H,13-17H2,1-2H3,(H2-,26,27,29,30,31,32);1H/t21-,22-;/m0./s1
    MOLECULAR FORMULA
    C25H31BrN2O6S
    CROSS REFERENCES
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    canSAR543301
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight566.11
    AlogP-0.68
    HBond donors3
    HBond acceptors8
    Atoms66
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR543301.