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canSAR1691138
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NAMES
    SMILES
    CN(CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(Cl)cc1
    InChI
    InChI=1S/C17H16ClN3O/c1-21(11-14-2-6-15(18)7-3-14)12-17(22)20-16-8-4-13(10-19)5-9-16/h2-9H,11-12H2,1H3,(H,20,22)
    MOLECULAR FORMULA
    C17H16ClN3O
    CROSS REFERENCES
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    canSAR1691138

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 313.10
    AlogP 3.28
    HBond donors 1
    HBond acceptors 4
    Atoms 38
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1691138.