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canSAR2203833
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NAMES
    SMILES
    COCc1cnc(N)c2c(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)nc([C@@H]3CCCN(C(=O)C4(C)COC4)C3)n12
    InChI
    InChI=1S/C31H31F4N7O4/c1-30(15-46-16-30)29(44)41-9-3-4-18(13-41)27-40-24(25-26(36)38-12-20(14-45-2)42(25)27)21-6-5-17(10-22(21)32)28(43)39-23-11-19(7-8-37-23)31(33,34)35/h5-8,10-12,18H,3-4,9,13-16H2,1-2H3,(H2,36,38)(H,37,39,43)/t18-/m1/s1
    MOLECULAR FORMULA
    C31H31F4N7O4
    CROSS REFERENCES
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    canSAR2203833

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 641.24
    AlogP 4.67
    HBond donors 3
    HBond acceptors 11
    Atoms 77
    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 canSAR2203833.