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canSAR370613
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NAMES
    SMILES
    CCCC[C@@H](C#N)n1cc([C@@](C)(NC(=O)c2ccccc2)C(C)C)nn1
    InChI
    InChI=1S/C20H27N5O/c1-5-6-12-17(13-21)25-14-18(23-24-25)20(4,15(2)3)22-19(26)16-10-8-7-9-11-16/h7-11,14-15,17H,5-6,12H2,1-4H3,(H,22,26)/t17-,20-/m0/s1
    MOLECULAR FORMULA
    C20H27N5O
    CROSS REFERENCES
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    canSAR370613

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 353.22
    AlogP 3.83
    HBond donors 1
    HBond acceptors 6
    Atoms 53
    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 canSAR370613.