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canSAR559046
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NAMES
    SMILES
    N=C(N)N1CCc2ccc(OCCC3(C(=O)O)CCN(c4ccncc4)CC3)cc2C1
    InChI
    InChI=1S/C23H29N5O3/c24-22(25)28-11-5-17-1-2-20(15-18(17)16-28)31-14-8-23(21(29)30)6-12-27(13-7-23)19-3-9-26-10-4-19/h1-4,9-10,15H,5-8,11-14,16H2,(H3,24,25)(H,29,30)
    MOLECULAR FORMULA
    C23H29N5O3
    CROSS REFERENCES
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    canSAR559046

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 423.23
    AlogP 2.47
    HBond donors 4
    HBond acceptors 8
    Atoms 60
    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 canSAR559046.