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canSAR1442452
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NAMES
    SMILES
    O=C(CN1CCN(CC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1)Nc1ccc(F)cc1
    InChI
    InChI=1S/C27H29FN4O3/c28-22-6-8-23(9-7-22)29-26(33)18-31-14-16-32(17-15-31)19-27(34)30-24-10-12-25(13-11-24)35-20-21-4-2-1-3-5-21/h1-13H,14-20H2,(H,29,33)(H,30,34)
    MOLECULAR FORMULA
    C27H29FN4O3
    CROSS REFERENCES
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    canSAR1442452

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 476.22
    AlogP 3.60
    HBond donors 2
    HBond acceptors 7
    Atoms 64
    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 canSAR1442452.