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canSAR1142532
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NAMES
    SMILES
    CCOC(=O)C1=C(Nc2ccc3cc4ccccc4cc3c2)SCC1=O
    InChI
    InChI=1S/C21H17NO3S/c1-2-25-21(24)19-18(23)12-26-20(19)22-17-8-7-15-9-13-5-3-4-6-14(13)10-16(15)11-17/h3-11,22H,2,12H2,1H3
    MOLECULAR FORMULA
    C21H17NO3S
    CROSS REFERENCES
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    canSAR1142532

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 363.09
    AlogP 4.50
    HBond donors 1
    HBond acceptors 4
    Atoms 43
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1142532.