canSAR538832
FEATURES
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NAMES
    SMILES
    NS(=O)(=O)c1ccccc1CCC(SCCC(=O)[O-])c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1.[Na+]
    InChI
    InChI=1S/C28H27ClN2O5S2.Na/c29-22-11-8-19-9-12-23(31-25(19)17-22)18-36-24-6-3-5-21(16-24)26(37-15-14-28(32)33)13-10-20-4-1-2-7-27(20)38(30,34)35;/h1-9,11-12,16-17,26H,10,13-15,18H2,(H,32,33)(H2,30,34,35);/q;+1/p-1
    MOLECULAR FORMULA
    C28H26ClN2NaO5S2
    CROSS REFERENCES
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    canSAR538832
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight592.09
    AlogP1.67
    HBond donors2
    HBond acceptors7
    Atoms65
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR538832.