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canSAR2094649
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NAMES
    SMILES
    C[C@@H]1CN(Cc2c[nH]nc2-c2ccc3oc(=O)[nH]c3c2)CCN1c1ccc(C(F)(F)F)cn1
    InChI
    InChI=1S/C22H21F3N6O2/c1-13-11-30(6-7-31(13)19-5-3-16(10-26-19)22(23,24)25)12-15-9-27-29-20(15)14-2-4-18-17(8-14)28-21(32)33-18/h2-5,8-10,13H,6-7,11-12H2,1H3,(H,27,29)(H,28,32)/t13-/m1/s1
    MOLECULAR FORMULA
    C22H21F3N6O2
    CROSS REFERENCES
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    canSAR2094649

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 458.17
    AlogP 3.64
    HBond donors 2
    HBond acceptors 8
    Atoms 54
    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 canSAR2094649.