canSAR164855
FEATURES
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NAMES
    SMILES
    O=C(CCCC[C@@H]1CCSS1)Nc1ccc2c(c1)C(=O)O[C@H](C(=O)O)C2
    InChI
    InChI=1S/C18H21NO5S2/c20-16(4-2-1-3-13-7-8-25-26-13)19-12-6-5-11-9-15(17(21)22)24-18(23)14(11)10-12/h5-6,10,13,15H,1-4,7-9H2,(H,19,20)(H,21,22)/t13-,15+/m1/s1
    MOLECULAR FORMULA
    C18H21NO5S2
    CROSS REFERENCES
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    canSAR164855
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight395.09
    AlogP3.51
    HBond donors2
    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 canSAR164855.