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canSAR16370
FEATURES
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NAMES
    SMILES
    CCCCS(=O)(=O)N1CCC([C@@H](NS(=O)(=O)c2ccc(-c3ccc(OCC)cc3)s2)C(=O)O)CC1
    InChI
    InChI=1S/C23H32N2O7S3/c1-3-5-16-34(28,29)25-14-12-18(13-15-25)22(23(26)27)24-35(30,31)21-11-10-20(33-21)17-6-8-19(9-7-17)32-4-2/h6-11,18,22,24H,3-5,12-16H2,1-2H3,(H,26,27)/t22-/m1/s1
    MOLECULAR FORMULA
    C23H32N2O7S3
    CROSS REFERENCES
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    canSAR16370

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 544.14
    AlogP 3.39
    HBond donors 2
    HBond acceptors 9
    Atoms 67
    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 canSAR16370.