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canSAR1014398
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NAMES
    SMILES
    COc1cc2c(cc1OC)/C(=N/NC(=S)Nc1ccc(C)cc1)CC2
    InChI
    InChI=1S/C19H21N3O2S/c1-12-4-7-14(8-5-12)20-19(25)22-21-16-9-6-13-10-17(23-2)18(24-3)11-15(13)16/h4-5,7-8,10-11H,6,9H2,1-3H3,(H2,20,22,25)/b21-16+
    MOLECULAR FORMULA
    C19H21N3O2S
    CROSS REFERENCES
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    canSAR1014398

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 355.14
    AlogP 3.65
    HBond donors 2
    HBond acceptors 5
    Atoms 46
    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 canSAR1014398.