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canSAR1059798
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NAMES
    SMILES
    COCCOc1cc2ncnc(NC3=CC(=O)C(OCc4ccc(F)cc4)=CC3=O)c2cc1OC
    InChI
    InChI=1S/C25H22FN3O6/c1-32-7-8-34-24-11-18-17(9-23(24)33-2)25(28-14-27-18)29-19-10-21(31)22(12-20(19)30)35-13-15-3-5-16(26)6-4-15/h3-6,9-12,14H,7-8,13H2,1-2H3,(H,27,28,29)
    MOLECULAR FORMULA
    C25H22FN3O6
    CROSS REFERENCES
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    canSAR1059798

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 479.15
    AlogP 3.35
    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 canSAR1059798.