canSAR1417023
FEATURES
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NAMES
    SMILES
    CC1(C)CC(=O)C=C(Nc2ccccc2C#N)C1
    InChI
    InChI=1S/C15H16N2O/c1-15(2)8-12(7-13(18)9-15)17-14-6-4-3-5-11(14)10-16/h3-7,17H,8-9H2,1-2H3
    MOLECULAR FORMULA
    C15H16N2O
    CROSS REFERENCES
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    canSAR1417023
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight240.13
    AlogP3.24
    HBond donors1
    HBond acceptors3
    Atoms34
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1417023.