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canSAR112574
FEATURES
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NAMES
    SMILES
    O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(CC/C(=N\OCCN2CCOCC2)c2ccccc2)C[C@H]1Cc1c[nH]c2ccccc12
    InChI
    InChI=1S/C37H39F6N5O3/c38-36(39,40)29-20-27(21-30(23-29)37(41,42)43)35(49)48-13-12-47(25-31(48)22-28-24-44-34-9-5-4-8-32(28)34)11-10-33(26-6-2-1-3-7-26)45-51-19-16-46-14-17-50-18-15-46/h1-9,20-21,23-24,31,44H,10-19,22,25H2/b45-33+/t31-/m1/s1
    MOLECULAR FORMULA
    C37H39F6N5O3
    CROSS REFERENCES
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    canSAR112574

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 715.30
    AlogP 6.72
    HBond donors 1
    HBond acceptors 8
    Atoms 90
    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 canSAR112574.