canSAR544721
FEATURES
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NAMES
    SMILES
    CSCC[C@H](NC(=O)c1ccc(COCc2ccc(-c3ccc(C(C)C)cc3)o2)cc1-c1ccccc1C)C(=O)[O-].[Li+]
    InChI
    InChI=1S/C34H37NO5S.Li/c1-22(2)25-10-12-26(13-11-25)32-16-14-27(40-32)21-39-20-24-9-15-29(30(19-24)28-8-6-5-7-23(28)3)33(36)35-31(34(37)38)17-18-41-4;/h5-16,19,22,31H,17-18,20-21H2,1-4H3,(H,35,36)(H,37,38);/q;+1/p-1/t31-;/m0./s1
    MOLECULAR FORMULA
    C34H36LiNO5S
    CROSS REFERENCES
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    canSAR544721
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight577.25
    AlogP3.37
    HBond donors1
    HBond acceptors6
    Atoms78
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR544721.