canSAR734568
FEATURES
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NAMES
    SMILES
    O[C@H](CNCCNC[C@@H](O)COC(c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCO2)COC(c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCO2
    InChI
    InChI=1S/C42H48N2O12/c45-31(25-55-41(27-1-5-33-37(19-27)51-15-11-47-33)28-2-6-34-38(20-28)52-16-12-48-34)23-43-9-10-44-24-32(46)26-56-42(29-3-7-35-39(21-29)53-17-13-49-35)30-4-8-36-40(22-30)54-18-14-50-36/h1-8,19-22,31-32,41-46H,9-18,23-26H2/t31-,32-/m1/s1
    MOLECULAR FORMULA
    C42H48N2O12
    CROSS REFERENCES
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    canSAR734568
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight772.32
    AlogP3.58
    HBond donors4
    HBond acceptors14
    Atoms104
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR734568.