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canSAR2208970
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NAMES
    SMILES
    C=CC(=O)N1CCCC(n2nc(-c3ccc(C(=O)c4c(F)c(F)cc(F)c4F)cc3F)c3c(N)ncnc32)C1
    InChI
    InChI=1S/C26H19F5N6O2/c1-2-18(38)36-7-3-4-13(10-36)37-26-20(25(32)33-11-34-26)23(35-37)14-6-5-12(8-15(14)27)24(39)19-21(30)16(28)9-17(29)22(19)31/h2,5-6,8-9,11,13H,1,3-4,7,10H2,(H2,32,33,34)
    MOLECULAR FORMULA
    C26H19F5N6O2
    CROSS REFERENCES
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    canSAR2208970

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 542.15
    AlogP 4.35
    HBond donors 2
    HBond acceptors 8
    Atoms 58
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2208970.