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canSAR1063358
FEATURES
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NAMES
    SMILES
    C[C@@H]1C[C@H](COC(=O)N(C)C)O[C@@H]2[C@H](O)[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O[C@H]6CN(C(=O)CC7CC7)CCO6)CC[C@@]56C[C@@]46CC[C@]3(C)[C@H]21
    InChI
    InChI=1S/C39H62N2O7/c1-23-18-25(21-46-34(44)40(6)7)47-32-31(23)36(4)14-15-39-22-38(39)13-12-28(35(2,3)26(38)10-11-27(39)37(36,5)33(32)43)48-30-20-41(16-17-45-30)29(42)19-24-8-9-24/h23-28,30-33,43H,8-22H2,1-7H3/t23-,25-,26+,27+,28+,30+,31+,32+,33+,36-,37-,38-,39+/m1/s1
    MOLECULAR FORMULA
    C39H62N2O7
    CROSS REFERENCES
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    canSAR1063358

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 670.46
    AlogP 5.87
    HBond donors 1
    HBond acceptors 9
    Atoms 110
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1063358.