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canSAR400485
FEATURES
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NAMES
    SMILES
    O=C(O)CC[C@@H](NS(=O)(=O)c1ccc2cc(OCc3ccccc3)ccc2c1)C(=O)O
    InChI
    InChI=1S/C22H21NO7S/c24-21(25)11-10-20(22(26)27)23-31(28,29)19-9-7-16-12-18(8-6-17(16)13-19)30-14-15-4-2-1-3-5-15/h1-9,12-13,20,23H,10-11,14H2,(H,24,25)(H,26,27)/t20-/m1/s1
    MOLECULAR FORMULA
    C22H21NO7S
    CROSS REFERENCES
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    canSAR400485

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 443.10
    AlogP 3.02
    HBond donors 3
    HBond acceptors 8
    Atoms 52
    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 canSAR400485.