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canSAR1637657
FEATURES
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NAMES
    SMILES
    COc1ccc(CN(C)C[C@@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)c4ccccc4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1
    InChI
    InChI=1S/C37H49N3O6/c1-26-22-40(27(2)25-41)37(43)33-21-31(38-36(42)30-12-7-6-8-13-30)16-19-34(33)46-28(3)11-9-10-20-45-35(26)24-39(4)23-29-14-17-32(44-5)18-15-29/h6-8,12-19,21,26-28,35,41H,9-11,20,22-25H2,1-5H3,(H,38,42)/t26-,27+,28+,35-/m0/s1
    MOLECULAR FORMULA
    C37H49N3O6
    CROSS REFERENCES
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    canSAR1637657

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 631.36
    AlogP 5.88
    HBond donors 2
    HBond acceptors 9
    Atoms 95
    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 canSAR1637657.