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canSAR2049286
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NAMES
    SMILES
    COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](n1cc(CNC(=O)OC(C)(C)C)nn1)CC2
    InChI
    InChI=1S/C28H34N4O7/c1-28(2,3)39-27(34)29-14-17-15-32(31-30-17)20-10-8-16-12-23(36-5)25(37-6)26(38-7)24(16)18-9-11-22(35-4)21(33)13-19(18)20/h9,11-13,15,20H,8,10,14H2,1-7H3,(H,29,34)/t20-/m0/s1
    MOLECULAR FORMULA
    C28H34N4O7
    CROSS REFERENCES
    2049286 logo

    canSAR2049286

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 538.24
    AlogP 3.90
    HBond donors 1
    HBond acceptors 11
    Atoms 73
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2049286.