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canSAR1067862
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NAMES
    SMILES
    Cc1ccc(N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)NCC#N)CC2)cc1
    InChI
    InChI=1S/C21H28N4O2/c1-16-6-8-17(9-7-16)24-12-14-25(15-13-24)21(27)19-5-3-2-4-18(19)20(26)23-11-10-22/h6-9,18-19H,2-5,11-15H2,1H3,(H,23,26)/t18-,19-/m1/s1
    MOLECULAR FORMULA
    C21H28N4O2
    CROSS REFERENCES
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    canSAR1067862

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 368.22
    AlogP 2.09
    HBond donors 1
    HBond acceptors 6
    Atoms 55
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1067862.