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canSAR1087740
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NAMES
    SMILES
    CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2cnc(OC[C@@H](O)CO)cn2)cc1Cl
    InChI
    InChI=1S/C22H28ClN3O6S/c1-33(30,31)19-7-6-15(9-18(19)23)17(8-14-4-2-3-5-14)22(29)26-20-10-25-21(11-24-20)32-13-16(28)12-27/h6-7,9-11,14,16-17,27-28H,2-5,8,12-13H2,1H3,(H,24,26,29)/t16-,17+/m0/s1
    MOLECULAR FORMULA
    C22H28ClN3O6S
    CROSS REFERENCES
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    canSAR1087740

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 497.14
    AlogP 2.57
    HBond donors 3
    HBond acceptors 9
    Atoms 61
    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 canSAR1087740.