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canSAR1016095
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NAMES
    SMILES
    c1ccc(CN2C(c3ccccc3)C3=C(NOC3c3ccccn3)C3CCCCC32)cc1
    InChI
    InChI=1S/C28H29N3O/c1-3-11-20(12-4-1)19-31-24-17-8-7-15-22(24)26-25(27(31)21-13-5-2-6-14-21)28(32-30-26)23-16-9-10-18-29-23/h1-6,9-14,16,18,22,24,27-28,30H,7-8,15,17,19H2
    MOLECULAR FORMULA
    C28H29N3O
    CROSS REFERENCES
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    canSAR1016095

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 423.23
    AlogP 5.73
    HBond donors 1
    HBond acceptors 4
    Atoms 61
    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 canSAR1016095.