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canSAR1832489
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NAMES
    SMILES
    CC1(C#N)CCCC1Nc1c(C(N)=O)cnn2cc(-c3ccccc3)cc12
    InChI
    InChI=1S/C21H21N5O/c1-21(13-22)9-5-8-18(21)25-19-16(20(23)27)11-24-26-12-15(10-17(19)26)14-6-3-2-4-7-14/h2-4,6-7,10-12,18,25H,5,8-9H2,1H3,(H2,23,27)
    MOLECULAR FORMULA
    C21H21N5O
    CROSS REFERENCES
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    canSAR1832489

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 359.17
    AlogP 3.59
    HBond donors 3
    HBond acceptors 6
    Atoms 48
    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 canSAR1832489.