canSAR822776
FEATURES
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NAMES
    SMILES
    COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(c3ccccc3O)C(=O)O2)cc1
    InChI
    InChI=1S/C31H37N3O8S/c1-21(2)18-33(43(39,40)24-15-13-23(41-3)14-16-24)19-28(36)25(17-22-9-5-4-6-10-22)32-30(37)29-20-34(31(38)42-29)26-11-7-8-12-27(26)35/h4-16,21,25,28-29,35-36H,17-20H2,1-3H3,(H,32,37)/t25-,28+,29-/m0/s1
    MOLECULAR FORMULA
    C31H37N3O8S
    CROSS REFERENCES
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    canSAR822776
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight611.23
    AlogP3.16
    HBond donors3
    HBond acceptors11
    Atoms80
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR822776.