canSAR539465
FEATURES
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NAMES
    SMILES
    CSCC[C@H](NC(=O)c1ccc(COCc2ccc(-c3ccc(C(C)=O)cc3)o2)cc1-c1ccccc1C)C(=O)[O-]
    InChI
    InChI=1S/C33H33NO6S/c1-21-6-4-5-7-27(21)29-18-23(8-14-28(29)32(36)34-30(33(37)38)16-17-41-3)19-39-20-26-13-15-31(40-26)25-11-9-24(10-12-25)22(2)35/h4-15,18,30H,16-17,19-20H2,1-3H3,(H,34,36)(H,37,38)/p-1/t30-/m0/s1
    MOLECULAR FORMULA
    C33H32NO6S-
    CROSS REFERENCES
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    canSAR539465
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight570.20
    AlogP5.44
    HBond donors1
    HBond acceptors7
    Atoms73
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR539465.