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canSAR1515185
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NAMES
    SMILES
    CCOc1ccc(/C=C/C(=O)Nc2ccc3nc(N(CC)CC)cc(C)c3c2)cc1OC
    InChI
    InChI=1S/C26H31N3O3/c1-6-29(7-2)25-15-18(4)21-17-20(11-12-22(21)28-25)27-26(30)14-10-19-9-13-23(32-8-3)24(16-19)31-5/h9-17H,6-8H2,1-5H3,(H,27,30)/b14-10+
    MOLECULAR FORMULA
    C26H31N3O3
    CROSS REFERENCES
    1515185 logo

    canSAR1515185

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 433.24
    AlogP 5.45
    HBond donors 1
    HBond acceptors 6
    Atoms 63
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1515185.