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canSAR1144681
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NAMES
    SMILES
    Cc1nc2ccccc2n1CCC(=O)N/N=C/c1c(O)ccc2cc(O)ccc12
    InChI
    InChI=1S/C22H20N4O3/c1-14-24-19-4-2-3-5-20(19)26(14)11-10-22(29)25-23-13-18-17-8-7-16(27)12-15(17)6-9-21(18)28/h2-9,12-13,27-28H,10-11H2,1H3,(H,25,29)/b23-13+
    MOLECULAR FORMULA
    C22H20N4O3
    CROSS REFERENCES
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    canSAR1144681

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 388.15
    AlogP 3.45
    HBond donors 3
    HBond acceptors 7
    Atoms 49
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1144681.