canSAR2061529
FEATURES
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NAMES
    SMILES
    COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(OCCN3CCN(Cc4ccc(-c5nnc(-c6ccc(C)c(Nc7nccc(-c8cccnc8)n7)c6)o5)cc4)CC3)c(OC)c2)ccc1O
    InChI
    InChI=1S/C52H50N8O7/c1-35-6-13-40(31-45(35)56-52-54-22-20-44(55-52)41-5-4-21-53-33-41)51-58-57-50(67-51)39-14-7-38(8-15-39)34-60-25-23-59(24-26-60)27-28-66-47-19-12-37(30-49(47)65-3)10-17-43(62)32-42(61)16-9-36-11-18-46(63)48(29-36)64-2/h4-22,29-31,33,63H,23-28,32,34H2,1-3H3,(H,54,55,56)/b16-9+,17-10+
    MOLECULAR FORMULA
    C52H50N8O7
    CROSS REFERENCES
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    canSAR2061529
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight898.38
    AlogP8.48
    HBond donors2
    HBond acceptors15
    Atoms117
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2061529.