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canSAR926827
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NAMES
    SMILES
    CC(C)NCc1ccc(-c2cc(-c3cccc(C(=O)N[C@H](C)C#N)c3)n[nH]2)cc1
    InChI
    InChI=1S/C23H25N5O/c1-15(2)25-14-17-7-9-18(10-8-17)21-12-22(28-27-21)19-5-4-6-20(11-19)23(29)26-16(3)13-24/h4-12,15-16,25H,14H2,1-3H3,(H,26,29)(H,27,28)/t16-/m1/s1
    MOLECULAR FORMULA
    C23H25N5O
    CROSS REFERENCES
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    canSAR926827

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 387.21
    AlogP 3.88
    HBond donors 3
    HBond acceptors 6
    Atoms 54
    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 canSAR926827.