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canSAR498662
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NAMES
    SMILES
    Nc1sc2c(c1C(=O)c1ccccc1)CCN(Cc1cccc(Cl)c1)C2
    InChI
    InChI=1S/C21H19ClN2OS/c22-16-8-4-5-14(11-16)12-24-10-9-17-18(13-24)26-21(23)19(17)20(25)15-6-2-1-3-7-15/h1-8,11H,9-10,12-13,23H2
    MOLECULAR FORMULA
    C21H19ClN2OS
    CROSS REFERENCES
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    canSAR498662

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 382.09
    AlogP 4.77
    HBond donors 2
    HBond acceptors 3
    Atoms 45
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR498662.