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canSAR1685430
FEATURES
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NAMES
    SMILES
    COc1ccc(C(=O)O)cc1S(=O)(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1
    InChI
    InChI=1S/C25H26N2O5S/c1-32-22-13-12-21(25(28)29)18-23(22)33(30,31)27-16-14-26(15-17-27)24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,18,24H,14-17H2,1H3,(H,28,29)
    MOLECULAR FORMULA
    C25H26N2O5S
    CROSS REFERENCES
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    canSAR1685430

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 466.16
    AlogP 3.49
    HBond donors 1
    HBond acceptors 7
    Atoms 59
    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 canSAR1685430.