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canSAR2091751
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NAMES
    SMILES
    COCCN1C[C@@H]2C[C@H]1CN2c1cc(-c2cnc(N)c(OC(F)(F)F)c2)nc(C2CC2)n1
    InChI
    InChI=1S/C21H25F3N6O2/c1-31-5-4-29-10-15-7-14(29)11-30(15)18-8-16(27-20(28-18)12-2-3-12)13-6-17(19(25)26-9-13)32-21(22,23)24/h6,8-9,12,14-15H,2-5,7,10-11H2,1H3,(H2,25,26)/t14-,15-/m0/s1
    MOLECULAR FORMULA
    C21H25F3N6O2
    CROSS REFERENCES
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    canSAR2091751

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 450.20
    AlogP 2.81
    HBond donors 2
    HBond acceptors 8
    Atoms 57
    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 canSAR2091751.