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canSAR2095331
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NAMES
    SMILES
    Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC4(CC4)C3)n2)cc1OC(F)F
    InChI
    InChI=1S/C21H24F2N6O2/c22-19(23)31-16-5-12(8-25-18(16)24)15-7-17(29-9-14-6-13(29)10-30-14)27-20(26-15)28-4-3-21(11-28)1-2-21/h5,7-8,13-14,19H,1-4,6,9-11H2,(H2,24,25)/t13-,14-/m0/s1
    MOLECULAR FORMULA
    C21H24F2N6O2
    CROSS REFERENCES
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    canSAR2095331

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 430.19
    AlogP 2.69
    HBond donors 2
    HBond acceptors 8
    Atoms 55
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2095331.