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canSAR547217
FEATURES
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NAMES
    SMILES
    CCOc1cccc(-n2cc(C(=O)N3CCN(c4cc(C(=O)O)c5ccccc5c4)CC3)nc2-c2ccc(C)cc2)c1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C34H32N4O4.C2HF3O2/c1-3-42-28-9-6-8-26(20-28)38-22-31(35-32(38)24-13-11-23(2)12-14-24)33(39)37-17-15-36(16-18-37)27-19-25-7-4-5-10-29(25)30(21-27)34(40)41;3-2(4,5)1(6)7/h4-14,19-22H,3,15-18H2,1-2H3,(H,40,41);(H,6,7)
    MOLECULAR FORMULA
    C36H33F3N4O6
    CROSS REFERENCES
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    canSAR547217

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 674.24
    AlogP 6.69
    HBond donors 2
    HBond acceptors 10
    Atoms 82
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR547217.