canSAR1847071
FEATURES
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NAMES
    SMILES
    COC(=O)[C@@]12C[C@@H](CC(=O)NCCc3ccccc3OC)C(=O)N(Cc3ccco3)C1=CCC(C)(C)C2
    InChI
    InChI=1S/C29H36N2O6/c1-28(2)13-11-24-29(19-28,27(34)36-4)17-21(26(33)31(24)18-22-9-7-15-37-22)16-25(32)30-14-12-20-8-5-6-10-23(20)35-3/h5-11,15,21H,12-14,16-19H2,1-4H3,(H,30,32)/t21-,29-/m1/s1
    MOLECULAR FORMULA
    C29H36N2O6
    CROSS REFERENCES
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    canSAR1847071
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight508.26
    AlogP4.25
    HBond donors1
    HBond acceptors8
    Atoms73
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1847071.