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canSAR1964637
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NAMES
    SMILES
    CCCNC(=O)N1[C@H](C#N)[C@H](c2ccc(-c3cccc(OC)c3)cc2)[C@H]1CO
    InChI
    InChI=1S/C22H25N3O3/c1-3-11-24-22(27)25-19(13-23)21(20(25)14-26)16-9-7-15(8-10-16)17-5-4-6-18(12-17)28-2/h4-10,12,19-21,26H,3,11,14H2,1-2H3,(H,24,27)/t19-,20-,21+/m1/s1
    MOLECULAR FORMULA
    C22H25N3O3
    CROSS REFERENCES
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    canSAR1964637

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 379.19
    AlogP 3.13
    HBond donors 2
    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 canSAR1964637.