canSAR1835149
FEATURES
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NAMES
    SMILES
    COc1ccccc1-c1nc(C#N)c(N2CCc3ccccc3C2)o1
    InChI
    InChI=1S/C20H17N3O2/c1-24-18-9-5-4-8-16(18)19-22-17(12-21)20(25-19)23-11-10-14-6-2-3-7-15(14)13-23/h2-9H,10-11,13H2,1H3
    MOLECULAR FORMULA
    C20H17N3O2
    CROSS REFERENCES
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    canSAR1835149
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight331.13
    AlogP3.78
    HBond donors0
    HBond acceptors5
    Atoms42
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1835149.