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canSAR1061319
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NAMES
    SMILES
    Cc1ccccc1-c1ccc([C@@H]2C[C@@H]2c2cc(=O)n(C)c(N)n2)cc1
    InChI
    InChI=1S/C21H21N3O/c1-13-5-3-4-6-16(13)14-7-9-15(10-8-14)17-11-18(17)19-12-20(25)24(2)21(22)23-19/h3-10,12,17-18H,11H2,1-2H3,(H2,22,23)/t17-,18-/m0/s1
    MOLECULAR FORMULA
    C21H21N3O
    CROSS REFERENCES
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    canSAR1061319

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 331.17
    AlogP 3.61
    HBond donors 2
    HBond acceptors 4
    Atoms 46
    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 canSAR1061319.