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canSAR1514499
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NAMES
    SMILES
    COCCOc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C
    InChI
    InChI=1S/C29H31ClN6O4/c1-36(2)12-6-8-28(37)35-25-16-22-24(17-27(25)39-14-13-38-3)32-19-33-29(22)34-20-9-10-26(23(30)15-20)40-18-21-7-4-5-11-31-21/h4-11,15-17,19H,12-14,18H2,1-3H3,(H,35,37)(H,32,33,34)/b8-6+
    MOLECULAR FORMULA
    C29H31ClN6O4
    CROSS REFERENCES
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    canSAR1514499

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 562.21
    AlogP 5.08
    HBond donors 2
    HBond acceptors 10
    Atoms 71
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1514499.