canSAR219348
FEATURES
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NAMES
    SMILES
    Cc1ccc([S+]([O-])/C=C/C2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cc4cccs4)[C@H]3SC2)cc1
    InChI
    InChI=1S/C22H20N2O5S3/c1-13-4-6-16(7-5-13)32(29)10-8-14-12-31-21-18(20(26)24(21)19(14)22(27)28)23-17(25)11-15-3-2-9-30-15/h2-10,18,21H,11-12H2,1H3,(H,23,25)(H,27,28)/b10-8+/t18-,21-,32?/m1/s1
    MOLECULAR FORMULA
    C22H20N2O5S3
    CROSS REFERENCES
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    canSAR219348
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight488.05
    AlogP2.66
    HBond donors2
    HBond acceptors7
    Atoms52
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR219348.