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canSAR1131019
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NAMES
    SMILES
    COc1ccc(/C=C2\CN(C)C[C@@]3(C2=O)[C@@H](c2ccc(OC)cc2)[C@@H]2CCCCN2[C@@]32C(=O)c3cccc4cccc2c34)cc1
    InChI
    InChI=1S/C39H38N2O4/c1-40-23-28(22-25-13-17-29(44-2)18-14-25)36(42)38(24-40)35(27-15-19-30(45-3)20-16-27)33-12-4-5-21-41(33)39(38)32-11-7-9-26-8-6-10-31(34(26)32)37(39)43/h6-11,13-20,22,33,35H,4-5,12,21,23-24H2,1-3H3/b28-22+/t33-,35-,38-,39-/m0/s1
    MOLECULAR FORMULA
    C39H38N2O4
    CROSS REFERENCES
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    canSAR1131019

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 598.28
    AlogP 6.49
    HBond donors 0
    HBond acceptors 6
    Atoms 83
    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 canSAR1131019.