canSAR2096032
FEATURES
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NAMES
    SMILES
    COc1cc([C@@H](C(=O)N2CCCC[C@H]2C(=O)N[C@@H](CCc2ccccc2)C(N)=O)C2CCCCC2)cc(OC)c1OC
    InChI
    InChI=1S/C33H45N3O6/c1-40-27-20-24(21-28(41-2)30(27)42-3)29(23-14-8-5-9-15-23)33(39)36-19-11-10-16-26(36)32(38)35-25(31(34)37)18-17-22-12-6-4-7-13-22/h4,6-7,12-13,20-21,23,25-26,29H,5,8-11,14-19H2,1-3H3,(H2,34,37)(H,35,38)/t25-,26-,29-/m0/s1
    MOLECULAR FORMULA
    C33H45N3O6
    CROSS REFERENCES
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    canSAR2096032
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight579.33
    AlogP4.36
    HBond donors3
    HBond acceptors9
    Atoms87
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2096032.