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canSAR1723068
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NAMES
    SMILES
    CCOC(=O)C1(CC2CCCCO2)CCN(Cc2nccn2-c2ccc(OC)cc2)CC1
    InChI
    InChI=1S/C25H35N3O4/c1-3-31-24(29)25(18-22-6-4-5-17-32-22)11-14-27(15-12-25)19-23-26-13-16-28(23)20-7-9-21(30-2)10-8-20/h7-10,13,16,22H,3-6,11-12,14-15,17-19H2,1-2H3
    MOLECULAR FORMULA
    C25H35N3O4
    CROSS REFERENCES
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    canSAR1723068

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 441.26
    AlogP 3.99
    HBond donors 0
    HBond acceptors 7
    Atoms 67
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1723068.