canSAR388543
FEATURES
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NAMES
    SMILES
    Cc1c(CSC2=C(C(=O)[O-])N3C(=O)[C@H](C(C)O)C3[C@H]2C)ccc[n+]1C
    InChI
    InChI=1S/C18H22N2O4S/c1-9-14-13(11(3)21)17(22)20(14)15(18(23)24)16(9)25-8-12-6-5-7-19(4)10(12)2/h5-7,9,11,13-14,21H,8H2,1-4H3/t9-,11?,13-,14?/m1/s1
    MOLECULAR FORMULA
    C18H22N2O4S
    CROSS REFERENCES
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    canSAR388543
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight362.13
    AlogP-0.13
    HBond donors1
    HBond acceptors6
    Atoms47
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR388543.