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canSAR545444
FEATURES
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NAMES
    SMILES
    Cc1noc(NS(=O)(=O)c2cccc(OCC(=O)[O-])c2-c2ccc(CC(C)C)cc2)c1C.[Li+]
    InChI
    InChI=1S/C23H26N2O6S.Li/c1-14(2)12-17-8-10-18(11-9-17)22-19(30-13-21(26)27)6-5-7-20(22)32(28,29)25-23-15(3)16(4)24-31-23;/h5-11,14,25H,12-13H2,1-4H3,(H,26,27);/q;+1/p-1
    MOLECULAR FORMULA
    C23H25LiN2O6S
    CROSS REFERENCES
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    canSAR545444

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 464.16
    AlogP 0.09
    HBond donors 1
    HBond acceptors 8
    Atoms 58
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR545444.