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canSAR2206535
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NAMES
    SMILES
    CC1(C(=O)N2CCC[C@@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)ncc(-c5ccccc5)n34)C2)COC1
    InChI
    InChI=1S/C35H32F3N7O3/c1-34(19-48-20-34)33(47)44-15-5-8-24(18-44)31-43-28(29-30(39)41-17-26(45(29)31)21-6-3-2-4-7-21)22-9-11-23(12-10-22)32(46)42-27-16-25(13-14-40-27)35(36,37)38/h2-4,6-7,9-14,16-17,24H,5,8,15,18-20H2,1H3,(H2,39,41)(H,40,42,46)/t24-/m1/s1
    MOLECULAR FORMULA
    C35H32F3N7O3
    CROSS REFERENCES
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    canSAR2206535

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 655.25
    AlogP 6.05
    HBond donors 3
    HBond acceptors 10
    Atoms 80
    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 canSAR2206535.