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canSAR1596568
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NAMES
    SMILES
    COC(=O)c1ccc(C(c2c(N)n(CC(C)C)c(=O)[nH]c2=O)N2CCN(c3ccccc3)CC2)cc1
    InChI
    InChI=1S/C27H33N5O4/c1-18(2)17-32-24(28)22(25(33)29-27(32)35)23(19-9-11-20(12-10-19)26(34)36-3)31-15-13-30(14-16-31)21-7-5-4-6-8-21/h4-12,18,23H,13-17,28H2,1-3H3,(H,29,33,35)
    MOLECULAR FORMULA
    C27H33N5O4
    CROSS REFERENCES
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    canSAR1596568

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 491.25
    AlogP 2.47
    HBond donors 3
    HBond acceptors 9
    Atoms 69
    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 canSAR1596568.