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canSAR919178
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NAMES
    SMILES
    C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)C[C@@H]2C[C@](C)(O)C(=O)N2Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@@H](O)C[C@@H]1O
    InChI
    InChI=1S/C36H45F6NO4/c1-20(29-9-10-30-23(6-5-11-33(29,30)3)7-8-24-15-28(44)17-31(45)21(24)2)12-27-18-34(4,47)32(46)43(27)19-22-13-25(35(37,38)39)16-26(14-22)36(40,41)42/h7-8,13-14,16,20,27-31,44-45,47H,2,5-6,9-12,15,17-19H2,1,3-4H3/b23-7+,24-8-/t20-,27-,28-,29-,30+,31+,33-,34+/m1/s1
    MOLECULAR FORMULA
    C36H45F6NO4
    CROSS REFERENCES
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    canSAR919178

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 669.33
    AlogP 7.74
    HBond donors 3
    HBond acceptors 5
    Atoms 92
    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 canSAR919178.