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canSAR660449
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NAMES
    SMILES
    Nc1sc2c(c1C(=O)NCc1ccccc1)CCN(Cc1ccccc1)C2
    InChI
    InChI=1S/C22H23N3OS/c23-21-20(22(26)24-13-16-7-3-1-4-8-16)18-11-12-25(15-19(18)27-21)14-17-9-5-2-6-10-17/h1-10H,11-15,23H2,(H,24,26)
    MOLECULAR FORMULA
    C22H23N3OS
    CROSS REFERENCES
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    canSAR660449

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 377.16
    AlogP 3.82
    HBond donors 3
    HBond acceptors 4
    Atoms 50
    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 canSAR660449.