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canSAR985506
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NAMES
    SMILES
    C[C@@H]1CCCN1CCCOc1ccc(-c2nn(C)c(=O)c3c2CCC3)cc1
    InChI
    InChI=1S/C22H29N3O2/c1-16-6-4-13-25(16)14-5-15-27-18-11-9-17(10-12-18)21-19-7-3-8-20(19)22(26)24(2)23-21/h9-12,16H,3-8,13-15H2,1-2H3/t16-/m1/s1
    MOLECULAR FORMULA
    C22H29N3O2
    CROSS REFERENCES
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    canSAR985506

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 367.23
    AlogP 3.19
    HBond donors 0
    HBond acceptors 5
    Atoms 56
    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 canSAR985506.