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canSAR386056
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NAMES
    SMILES
    C=CCN(CC(O)COc1ccccc1C#N)C(C)(C)Cc1cc2ccccc2[nH]1
    InChI
    InChI=1S/C25H29N3O2/c1-4-13-28(17-22(29)18-30-24-12-8-6-10-20(24)16-26)25(2,3)15-21-14-19-9-5-7-11-23(19)27-21/h4-12,14,22,27,29H,1,13,15,17-18H2,2-3H3
    MOLECULAR FORMULA
    C25H29N3O2
    CROSS REFERENCES
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    canSAR386056

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 403.23
    AlogP 4.29
    HBond donors 2
    HBond acceptors 5
    Atoms 59
    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 canSAR386056.