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canSAR1154746
FEATURES
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NAMES
    SMILES
    CCCCCC(C)N(Cc1ccc(CC(C)(C)C)cc1)C(Nc1ccc(OC)cc1OC)C1C(=O)OC(C)(C)OC1=O
    InChI
    InChI=1S/C34H50N2O6/c1-10-11-12-13-23(2)36(22-25-16-14-24(15-17-25)21-33(3,4)5)30(29-31(37)41-34(6,7)42-32(29)38)35-27-19-18-26(39-8)20-28(27)40-9/h14-20,23,29-30,35H,10-13,21-22H2,1-9H3
    MOLECULAR FORMULA
    C34H50N2O6
    CROSS REFERENCES
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    canSAR1154746

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 582.37
    AlogP 6.95
    HBond donors 1
    HBond acceptors 8
    Atoms 92
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1154746.