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canSAR1142362
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NAMES
    SMILES
    COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C4CC(c5c(F)ccc(F)c5F)C4)C[C@@H]3C(=O)O)c2c1
    InChI
    InChI=1S/C29H31F3N2O4/c1-38-19-3-6-25-21(14-19)20(8-10-33-25)26(35)7-2-16-9-11-34(15-22(16)29(36)37)18-12-17(13-18)27-23(30)4-5-24(31)28(27)32/h3-6,8,10,14,16-18,22,26,35H,2,7,9,11-13,15H2,1H3,(H,36,37)/t16-,17?,18?,22+,26+/m1/s1
    MOLECULAR FORMULA
    C29H31F3N2O4
    CROSS REFERENCES
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    canSAR1142362

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 528.22
    AlogP 5.44
    HBond donors 2
    HBond acceptors 6
    Atoms 69
    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 canSAR1142362.