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canSAR2050973
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NAMES
    SMILES
    COc1cc2nc(NC3CC3)c(N3CCC(Cc4ccc(F)cc4F)CC3)nc2cn1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C23H25F2N5O.C2HF3O2/c1-31-21-12-19-20(13-26-21)29-23(22(28-19)27-17-4-5-17)30-8-6-14(7-9-30)10-15-2-3-16(24)11-18(15)25;3-2(4,5)1(6)7/h2-3,11-14,17H,4-10H2,1H3,(H,27,28);(H,6,7)
    MOLECULAR FORMULA
    C25H26F5N5O3
    CROSS REFERENCES
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    canSAR2050973

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 539.20
    AlogP 4.98
    HBond donors 2
    HBond acceptors 8
    Atoms 64
    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 canSAR2050973.