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canSAR186474
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NAMES
    SMILES
    COc1cc(OC)c(OC)cc1CCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[C@@H](N)CC(C)C)CC1
    InChI
    InChI=1S/C28H38F3N3O4/c1-18(2)14-22(32)21-16-20(28(29,30)31)7-8-23(21)33-10-12-34(13-11-33)27(35)9-6-19-15-25(37-4)26(38-5)17-24(19)36-3/h7-8,15-18,22H,6,9-14,32H2,1-5H3/t22-/m0/s1
    MOLECULAR FORMULA
    C28H38F3N3O4
    CROSS REFERENCES
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    canSAR186474

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 537.28
    AlogP 5.06
    HBond donors 2
    HBond acceptors 7
    Atoms 76
    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 canSAR186474.