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canSAR1128329
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](c4ccccc4)OC[C@@]3(C)[C@@H]1C[C@@H]2OC(=O)c1ccc([N+](=O)[O-])cc1
    InChI
    InChI=1S/C39H38N2O10/c1-37-16-15-29-38(2,21-47-36(50-29)23-8-5-4-6-9-23)28(37)19-30(49-34(43)22-11-13-25(14-12-22)41(45)46)39(3)33(37)32(42)31-27(51-39)18-26(48-35(31)44)24-10-7-17-40-20-24/h4-14,17-18,20,28-30,32-33,36,42H,15-16,19,21H2,1-3H3/t28-,29+,30+,32+,33-,36-,37+,38+,39-/m1/s1
    MOLECULAR FORMULA
    C39H38N2O10
    CROSS REFERENCES
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    canSAR1128329

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 694.25
    AlogP 6.58
    HBond donors 1
    HBond acceptors 12
    Atoms 89
    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 canSAR1128329.