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canSAR1131729
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NAMES
    SMILES
    O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1)NC1CCC1
    InChI
    InChI=1S/C22H20N4O2S/c27-18(23-14-7-6-8-14)13-29-22-25-19-16-11-4-5-12-17(16)24-20(19)21(28)26(22)15-9-2-1-3-10-15/h1-5,9-12,14,24H,6-8,13H2,(H,23,27)
    MOLECULAR FORMULA
    C22H20N4O2S
    CROSS REFERENCES
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    canSAR1131729

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 404.13
    AlogP 3.63
    HBond donors 2
    HBond acceptors 6
    Atoms 49
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1131729.