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canSAR462025
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NAMES
    SMILES
    COc1ccc(CC(C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H](N)CC(C)C)CC2)cc1
    InChI
    InChI=1S/C27H36F3N3O2/c1-18(2)15-24(31)23-17-21(27(28,29)30)7-10-25(23)32-11-13-33(14-12-32)26(34)19(3)16-20-5-8-22(35-4)9-6-20/h5-10,17-19,24H,11-16,31H2,1-4H3/t19?,24-/m0/s1
    MOLECULAR FORMULA
    C27H36F3N3O2
    CROSS REFERENCES
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    canSAR462025

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 491.28
    AlogP 5.29
    HBond donors 2
    HBond acceptors 5
    Atoms 71
    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 canSAR462025.