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canSAR986247
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NAMES
    SMILES
    C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)[nH]n2)cc1C#N
    InChI
    InChI=1S/C19H22N4O2/c1-14-4-2-9-23(14)10-3-11-25-18-7-5-15(12-16(18)13-20)17-6-8-19(24)22-21-17/h5-8,12,14H,2-4,9-11H2,1H3,(H,22,24)/t14-/m1/s1
    MOLECULAR FORMULA
    C19H22N4O2
    CROSS REFERENCES
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    canSAR986247

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 338.17
    AlogP 2.56
    HBond donors 1
    HBond acceptors 6
    Atoms 47
    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 canSAR986247.