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canSAR654846
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NAMES
    SMILES
    CC(C)(C)c1nnc(-c2ccc(N3CCC(Oc4ccccc4C(F)(F)F)CC3)nn2)o1
    InChI
    InChI=1S/C22H24F3N5O2/c1-21(2,3)20-29-28-19(32-20)16-8-9-18(27-26-16)30-12-10-14(11-13-30)31-17-7-5-4-6-15(17)22(23,24)25/h4-9,14H,10-13H2,1-3H3
    MOLECULAR FORMULA
    C22H24F3N5O2
    CROSS REFERENCES
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    canSAR654846

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 447.19
    AlogP 4.89
    HBond donors 0
    HBond acceptors 7
    Atoms 56
    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 canSAR654846.