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canSAR829106
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NAMES
    SMILES
    COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N4[C@@H](c5cc(OC)c(O)c(OC)c5)c5[nH]c6ccccc6c5C[C@@H]4C(=O)N23)cc(OC)c1O
    InChI
    InChI=1S/C40H36N4O8/c1-49-29-13-19(14-30(50-2)37(29)45)35-33-23(21-9-5-7-11-25(21)41-33)17-27-40(48)44-28(39(47)43(27)35)18-24-22-10-6-8-12-26(22)42-34(24)36(44)20-15-31(51-3)38(46)32(16-20)52-4/h5-16,27-28,35-36,41-42,45-46H,17-18H2,1-4H3/t27-,28-,35+,36+/m1/s1
    MOLECULAR FORMULA
    C40H36N4O8
    CROSS REFERENCES
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    canSAR829106

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 700.25
    AlogP 5.49
    HBond donors 4
    HBond acceptors 12
    Atoms 88
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR829106.