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canSAR547092
FEATURES
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NAMES
    SMILES
    CSCC[C@H](NC(=O)c1ccc(COCc2ccc(-c3ccc(SC)cc3)o2)cc1-c1ccccc1C)C(=O)[O-].[Li+]
    InChI
    InChI=1S/C32H33NO5S2.Li/c1-21-6-4-5-7-26(21)28-18-22(8-14-27(28)31(34)33-29(32(35)36)16-17-39-2)19-37-20-24-11-15-30(38-24)23-9-12-25(40-3)13-10-23;/h4-15,18,29H,16-17,19-20H2,1-3H3,(H,33,34)(H,35,36);/q;+1/p-1/t29-;/m0./s1
    MOLECULAR FORMULA
    C32H32LiNO5S2
    CROSS REFERENCES
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    canSAR547092

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 581.19
    AlogP 2.97
    HBond donors 1
    HBond acceptors 6
    Atoms 73
    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 canSAR547092.