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canSAR2095646
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NAMES
    SMILES
    CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(CC2CO2)c2ccccc12
    InChI
    InChI=1S/C22H19N3O2/c1-15-20(22(26)25(23-15)17-7-3-2-4-8-17)11-16-12-24(13-18-14-27-18)21-10-6-5-9-19(16)21/h2-12,18H,13-14H2,1H3/b20-11+
    MOLECULAR FORMULA
    C22H19N3O2
    CROSS REFERENCES
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    canSAR2095646

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 357.15
    AlogP 3.85
    HBond donors 0
    HBond acceptors 5
    Atoms 46
    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 canSAR2095646.