canSAR586442
FEATURES
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NAMES
    SMILES
    NS(=O)(=O)c1cc(S(=O)(=O)[O-])c(NCc2ccco2)cc1S(=O)(=O)CC1CCCCC1.[Na+]
    InChI
    InChI=1S/C18H24N2O8S3.Na/c19-30(23,24)18-10-16(31(25,26)27)15(20-11-14-7-4-8-28-14)9-17(18)29(21,22)12-13-5-2-1-3-6-13;/h4,7-10,13,20H,1-3,5-6,11-12H2,(H2,19,23,24)(H,25,26,27);/q;+1/p-1
    MOLECULAR FORMULA
    C18H23N2NaO8S3
    CROSS REFERENCES
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    canSAR586442
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight514.05
    AlogP-1.20
    HBond donors3
    HBond acceptors10
    Atoms55
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR586442.