canSAR2095614
FEATURES
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NAMES
    SMILES
    C=C1C(=O)O[C@H]2[C@H]1CC/C(COC(=O)c1cc(-c3ccc(Br)cc3)n[nH]1)=C/CC[C@@]1(C)O[C@@H]21
    InChI
    InChI=1S/C25H25BrN2O5/c1-14-18-10-5-15(4-3-11-25(2)22(33-25)21(18)32-23(14)29)13-31-24(30)20-12-19(27-28-20)16-6-8-17(26)9-7-16/h4,6-9,12,18,21-22H,1,3,5,10-11,13H2,2H3,(H,27,28)/b15-4-/t18-,21-,22-,25+/m0/s1
    MOLECULAR FORMULA
    C25H25BrN2O5
    CROSS REFERENCES
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    canSAR2095614
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight512.09
    AlogP4.75
    HBond donors1
    HBond acceptors7
    Atoms58
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2095614.