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canSAR462811
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NAMES
    SMILES
    COCCOc1cc2ncnc(NC3=CC(=O)C(OCc4ccccc4)=CC3=O)c2cc1OC
    InChI
    InChI=1S/C25H23N3O6/c1-31-8-9-33-24-12-18-17(10-23(24)32-2)25(27-15-26-18)28-19-11-21(30)22(13-20(19)29)34-14-16-6-4-3-5-7-16/h3-7,10-13,15H,8-9,14H2,1-2H3,(H,26,27,28)
    MOLECULAR FORMULA
    C25H23N3O6
    CROSS REFERENCES
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    canSAR462811

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 461.16
    AlogP 3.21
    HBond donors 1
    HBond acceptors 9
    Atoms 57
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR462811.