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canSAR1688224
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NAMES
    SMILES
    O=C(N[C@H]1CC[C@H](CNc2nnnn2-c2ccccc2)CC1)c1cc(C(F)(F)F)ccc1Cl
    InChI
    InChI=1S/C22H22ClF3N6O/c23-19-11-8-15(22(24,25)26)12-18(19)20(33)28-16-9-6-14(7-10-16)13-27-21-29-30-31-32(21)17-4-2-1-3-5-17/h1-5,8,11-12,14,16H,6-7,9-10,13H2,(H,28,33)(H,27,29,31)/t14-,16-
    MOLECULAR FORMULA
    C22H22ClF3N6O
    CROSS REFERENCES
    1688224 logo

    canSAR1688224

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 478.15
    AlogP 4.74
    HBond donors 2
    HBond acceptors 7
    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 canSAR1688224.