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canSAR845836
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NAMES
    SMILES
    CN1C(=O)C[C@H](c2ccc(O)cc2)[C@@H]1[C@@H](O)c1ccc(-c2ccccc2)s1
    InChI
    InChI=1S/C22H21NO3S/c1-23-20(25)13-17(14-7-9-16(24)10-8-14)21(23)22(26)19-12-11-18(27-19)15-5-3-2-4-6-15/h2-12,17,21-22,24,26H,13H2,1H3/t17-,21-,22+/m1/s1
    MOLECULAR FORMULA
    C22H21NO3S
    CROSS REFERENCES
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    canSAR845836

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 379.12
    AlogP 4.17
    HBond donors 2
    HBond acceptors 4
    Atoms 48
    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 canSAR845836.