canSAR538701
FEATURES
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NAMES
    SMILES
    CSCC[C@H](NC(=O)c1ccc(COCc2ccc(-c3ccc(F)cc3)o2)cc1-c1ccccc1C)C(=O)[O-].[Li+]
    InChI
    InChI=1S/C31H30FNO5S.Li/c1-20-5-3-4-6-25(20)27-17-21(7-13-26(27)30(34)33-28(31(35)36)15-16-39-2)18-37-19-24-12-14-29(38-24)22-8-10-23(32)11-9-22;/h3-14,17,28H,15-16,18-19H2,1-2H3,(H,33,34)(H,35,36);/q;+1/p-1/t28-;/m0./s1
    MOLECULAR FORMULA
    C31H29FLiNO5S
    CROSS REFERENCES
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    canSAR538701
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight553.19
    AlogP2.38
    HBond donors1
    HBond acceptors6
    Atoms69
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR538701.