canSAR2059745
FEATURES
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NAMES
    SMILES
    CCN(CC)CCCCCCCCCCOc1cc2oc3cc(OCCCCCCCCCCN(CC)CC)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)C
    InChI
    InChI=1S/C52H84N2O6/c1-10-53(11-2)34-26-22-18-14-16-20-24-28-36-58-44-38-46-49(50(55)42(44)32-30-40(5)6)51(56)48-43(33-31-41(7)8)52(57-9)47(39-45(48)60-46)59-37-29-25-21-17-15-19-23-27-35-54(12-3)13-4/h30-31,38-39,55H,10-29,32-37H2,1-9H3
    MOLECULAR FORMULA
    C52H84N2O6
    CROSS REFERENCES
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    canSAR2059745
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight832.63
    AlogP13.36
    HBond donors1
    HBond acceptors8
    Atoms144
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2059745.