canSAR855599
FEATURES
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NAMES
    SMILES
    C[C@H]1C(CN2Cc3ccccc3S2(=O)=O)=C(C(=O)[O-])N2C(=O)[C@H]([C@@H](C)O)[C@@H]12.[Na+]
    InChI
    InChI=1S/C18H20N2O6S.Na/c1-9-12(8-19-7-11-5-3-4-6-13(11)27(19,25)26)16(18(23)24)20-15(9)14(10(2)21)17(20)22;/h3-6,9-10,14-15,21H,7-8H2,1-2H3,(H,23,24);/q;+1/p-1/t9-,10+,14+,15+;/m0./s1
    MOLECULAR FORMULA
    C18H19N2NaO6S
    CROSS REFERENCES
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    canSAR855599
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight414.09
    AlogP-3.94
    HBond donors1
    HBond acceptors8
    Atoms47
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR855599.