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canSAR1149078
FEATURES
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NAMES
    SMILES
    CCCCC(CC)N(Cc1ccc(CC(C)(C)C)cc1)C(Nc1ccc(N(C)C)cc1)=C1C(=O)OC(C)(C)OC1=O
    InChI
    InChI=1S/C34H49N3O4/c1-10-12-13-27(11-2)37(23-25-16-14-24(15-17-25)22-33(3,4)5)30(29-31(38)40-34(6,7)41-32(29)39)35-26-18-20-28(21-19-26)36(8)9/h14-21,27,35H,10-13,22-23H2,1-9H3
    MOLECULAR FORMULA
    C34H49N3O4
    CROSS REFERENCES
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    canSAR1149078

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 563.37
    AlogP 7.27
    HBond donors 1
    HBond acceptors 7
    Atoms 90
    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 canSAR1149078.