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canSAR1127279
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NAMES
    SMILES
    COc1ccc(C(=O)Nc2ccc(OCCCN(C)C)cc2)cc1Nc1nccc(-c2cccnc2)n1
    InChI
    InChI=1S/C28H30N6O3/c1-34(2)16-5-17-37-23-10-8-22(9-11-23)31-27(35)20-7-12-26(36-3)25(18-20)33-28-30-15-13-24(32-28)21-6-4-14-29-19-21/h4,6-15,18-19H,5,16-17H2,1-3H3,(H,31,35)(H,30,32,33)
    MOLECULAR FORMULA
    C28H30N6O3
    CROSS REFERENCES
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    canSAR1127279

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 498.24
    AlogP 4.87
    HBond donors 2
    HBond acceptors 9
    Atoms 67
    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 canSAR1127279.