canSAR1711739
FEATURES
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NAMES
    SMILES
    COc1ccc(N2CCN(c3oc(Cc4cccc5ccccc45)nc3C#N)CC2)cc1
    InChI
    InChI=1S/C26H24N4O2/c1-31-22-11-9-21(10-12-22)29-13-15-30(16-14-29)26-24(18-27)28-25(32-26)17-20-7-4-6-19-5-2-3-8-23(19)20/h2-12H,13-17H2,1H3
    MOLECULAR FORMULA
    C26H24N4O2
    CROSS REFERENCES
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    canSAR1711739
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight424.19
    AlogP4.63
    HBond donors0
    HBond acceptors6
    Atoms56
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1711739.