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canSAR1489995
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NAMES
    SMILES
    CC(C)c1c(C(=O)NN=Cc2cccc(OCc3ccc(F)cc3)c2)nnn1-c1nonc1N
    InChI
    InChI=1S/C22H21FN8O3/c1-13(2)19-18(26-30-31(19)21-20(24)28-34-29-21)22(32)27-25-11-15-4-3-5-17(10-15)33-12-14-6-8-16(23)9-7-14/h3-11,13H,12H2,1-2H3,(H2,24,28)(H,27,32)
    MOLECULAR FORMULA
    C22H21FN8O3
    CROSS REFERENCES
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    canSAR1489995

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 464.17
    AlogP 2.84
    HBond donors 3
    HBond acceptors 11
    Atoms 55
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1489995.