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canSAR1442939
FEATURES
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NAMES
    SMILES
    C[C@H]1CCCCO[C@H](CN(C)Cc2ccc3c(c2)OCO3)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3cccc4ccccc34)ccc2O1
    InChI
    InChI=1S/C41H50N4O7/c1-27-22-45(28(2)25-46)40(47)34-21-32(42-41(48)43-35-14-9-12-31-11-5-6-13-33(31)35)16-18-36(34)52-29(3)10-7-8-19-49-39(27)24-44(4)23-30-15-17-37-38(20-30)51-26-50-37/h5-6,9,11-18,20-21,27-29,39,46H,7-8,10,19,22-26H2,1-4H3,(H2,42,43,48)/t27-,28-,29-,39+/m0/s1
    MOLECULAR FORMULA
    C41H50N4O7
    CROSS REFERENCES
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    canSAR1442939

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 710.37
    AlogP 7.14
    HBond donors 3
    HBond acceptors 11
    Atoms 102
    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 canSAR1442939.