canSAR2096455
FEATURES
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NAMES
    SMILES
    COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](n1cc(COC(=O)CCCCCNC(=O)OC(C)(C)C)nn1)CC2
    InChI
    InChI=1S/C34H44N4O9/c1-34(2,3)47-33(41)35-16-10-8-9-11-29(40)46-20-22-19-38(37-36-22)25-14-12-21-17-28(43-5)31(44-6)32(45-7)30(21)23-13-15-27(42-4)26(39)18-24(23)25/h13,15,17-19,25H,8-12,14,16,20H2,1-7H3,(H,35,41)/t25-/m0/s1
    MOLECULAR FORMULA
    C34H44N4O9
    CROSS REFERENCES
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    canSAR2096455
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight652.31
    AlogP5.00
    HBond donors1
    HBond acceptors13
    Atoms91
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2096455.