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canSAR1065351
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NAMES
    SMILES
    C=CC(=O)NC1CCN(S(=O)(=O)c2ccc(C(=O)NCc3cccc4ccccc34)cc2)CC1
    InChI
    InChI=1S/C26H27N3O4S/c1-2-25(30)28-22-14-16-29(17-15-22)34(32,33)23-12-10-20(11-13-23)26(31)27-18-21-8-5-7-19-6-3-4-9-24(19)21/h2-13,22H,1,14-18H2,(H,27,31)(H,28,30)
    MOLECULAR FORMULA
    C26H27N3O4S
    CROSS REFERENCES
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    canSAR1065351

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 477.17
    AlogP 3.23
    HBond donors 2
    HBond acceptors 7
    Atoms 61
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1065351.