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canSAR1127858
FEATURES
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NAMES
    SMILES
    C[C@]12Oc3cc(-c4cccnc4)oc(=O)c3[C@H](O)[C@@H]1[C@@]1(C)CC[C@@H]3O[C@H](c4cccc5ccccc45)OC[C@@]3(C)[C@@H]1C[C@@H]2OC(=O)c1ccc(C#N)cc1
    InChI
    InChI=1S/C44H40N2O8/c1-42-18-17-34-43(2,24-50-41(53-34)30-12-6-9-26-8-4-5-11-29(26)30)33(42)21-35(52-39(48)27-15-13-25(22-45)14-16-27)44(3)38(42)37(47)36-32(54-44)20-31(51-40(36)49)28-10-7-19-46-23-28/h4-16,19-20,23,33-35,37-38,41,47H,17-18,21,24H2,1-3H3/t33-,34+,35+,37+,38-,41-,42+,43+,44-/m1/s1
    MOLECULAR FORMULA
    C44H40N2O8
    CROSS REFERENCES
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    canSAR1127858

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 724.28
    AlogP 7.69
    HBond donors 1
    HBond acceptors 10
    Atoms 94
    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 canSAR1127858.