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canSAR1964331
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NAMES
    SMILES
    CCOc1ccc([C@H]2c3[nH]c4ccccc4c3Cc3c(O)n(CCc4ccccn4)c(=O)n32)cc1
    InChI
    InChI=1S/C28H26N4O3/c1-2-35-20-12-10-18(11-13-20)26-25-22(21-8-3-4-9-23(21)30-25)17-24-27(33)31(28(34)32(24)26)16-14-19-7-5-6-15-29-19/h3-13,15,26,30,33H,2,14,16-17H2,1H3/t26-/m0/s1
    MOLECULAR FORMULA
    C28H26N4O3
    CROSS REFERENCES
    1964331 logo

    canSAR1964331

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 466.20
    AlogP 4.42
    HBond donors 2
    HBond acceptors 7
    Atoms 61
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1964331.