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canSAR1636276
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NAMES
    SMILES
    CCOC(=O)CC[C@@H](NC(=O)c1ccc(N[C@@H]2c3cc4c(cc3[C@@H](c3cc(OC)c(O)c(OC)c3)[C@H]3C(=O)OC[C@H]23)OCO4)cc1)C(=O)OCC
    InChI
    InChI=1S/C37H40N2O12/c1-5-47-30(40)12-11-25(36(43)48-6-2)39-35(42)19-7-9-21(10-8-19)38-33-23-16-27-26(50-18-51-27)15-22(23)31(32-24(33)17-49-37(32)44)20-13-28(45-3)34(41)29(14-20)46-4/h7-10,13-16,24-25,31-33,38,41H,5-6,11-12,17-18H2,1-4H3,(H,39,42)/t24-,25+,31+,32-,33+/m0/s1
    MOLECULAR FORMULA
    C37H40N2O12
    CROSS REFERENCES
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    canSAR1636276

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 704.26
    AlogP 4.23
    HBond donors 3
    HBond acceptors 14
    Atoms 91
    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 canSAR1636276.