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canSAR1152744
FEATURES
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NAMES
    SMILES
    CCCCCC(C)N(Cc1ccc(CCC(C)C)cc1)C(Nc1ccc(N(C)C)cc1C)=C1C(=O)OC(C)(C)OC1=O
    InChI
    InChI=1S/C35H51N3O4/c1-10-11-12-13-26(5)38(23-28-18-16-27(17-19-28)15-14-24(2)3)32(31-33(39)41-35(6,7)42-34(31)40)36-30-21-20-29(37(8)9)22-25(30)4/h16-22,24,26,36H,10-15,23H2,1-9H3
    MOLECULAR FORMULA
    C35H51N3O4
    CROSS REFERENCES
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    canSAR1152744

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 577.39
    AlogP 7.58
    HBond donors 1
    HBond acceptors 7
    Atoms 93
    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 canSAR1152744.