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canSAR1127036
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NAMES
    SMILES
    O=C(O)C[C@H]1CC[C@H](c2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cn3)cc2)CC1
    InChI
    InChI=1S/C27H24F3N3O2/c28-27(29,30)21-10-12-23-24(14-21)33-26(32-23)20-9-11-22(31-15-20)19-7-5-18(6-8-19)17-3-1-16(2-4-17)13-25(34)35/h5-12,14-17H,1-4,13H2,(H,32,33)(H,34,35)/t16-,17-
    MOLECULAR FORMULA
    C27H24F3N3O2
    CROSS REFERENCES
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    canSAR1127036

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 479.18
    AlogP 7.06
    HBond donors 2
    HBond acceptors 5
    Atoms 59
    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 canSAR1127036.