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canSAR1429853
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NAMES
    SMILES
    COc1ccc(NC(=S)Nc2ccc3c(c2)c(=O)n(C)n3-c2ccccc2)cc1
    InChI
    InChI=1S/C22H20N4O2S/c1-25-21(27)19-14-16(10-13-20(19)26(25)17-6-4-3-5-7-17)24-22(29)23-15-8-11-18(28-2)12-9-15/h3-14H,1-2H3,(H2,23,24,29)
    MOLECULAR FORMULA
    C22H20N4O2S
    CROSS REFERENCES
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    canSAR1429853

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 404.13
    AlogP 4.15
    HBond donors 2
    HBond acceptors 6
    Atoms 49
    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 canSAR1429853.