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canSAR1108122
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NAMES
    SMILES
    Nc1scc(CN2CCc3[nH]c4ccccc4c3C2)c1C(=O)c1ccc(Cl)cc1
    InChI
    InChI=1S/C23H20ClN3OS/c24-16-7-5-14(6-8-16)22(28)21-15(13-29-23(21)25)11-27-10-9-20-18(12-27)17-3-1-2-4-19(17)26-20/h1-8,13,26H,9-12,25H2
    MOLECULAR FORMULA
    C23H20ClN3OS
    CROSS REFERENCES
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    canSAR1108122

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 421.10
    AlogP 5.25
    HBond donors 3
    HBond acceptors 4
    Atoms 49
    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 canSAR1108122.