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canSAR1859595
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NAMES
    SMILES
    COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccc(Cl)c(C(F)(F)F)c4)c3C[C@H]2CN1C(=O)c1ccccc1
    InChI
    InChI=1S/C37H35ClF3N3O5/c1-42(2)34(46)31-18-27-30(43(31)20-23-12-15-29(38)28(16-23)37(39,40)41)17-25-21-44(33(45)24-8-6-5-7-9-24)36(32(25)27,35(47)49-4)19-22-10-13-26(48-3)14-11-22/h5-16,18,25,32H,17,19-21H2,1-4H3/t25-,32+,36+/m0/s1
    MOLECULAR FORMULA
    C37H35ClF3N3O5
    CROSS REFERENCES
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    canSAR1859595

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 693.22
    AlogP 6.49
    HBond donors 0
    HBond acceptors 8
    Atoms 84
    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 canSAR1859595.