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canSAR2085136
FEATURES
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NAMES
    SMILES
    COc1cc(/C=C/C(=O)N[C@@H](COC(=O)c2ccccc2)C(=O)NC2CCCCC2)cc(OC)c1
    InChI
    InChI=1S/C27H32N2O6/c1-33-22-15-19(16-23(17-22)34-2)13-14-25(30)29-24(26(31)28-21-11-7-4-8-12-21)18-35-27(32)20-9-5-3-6-10-20/h3,5-6,9-10,13-17,21,24H,4,7-8,11-12,18H2,1-2H3,(H,28,31)(H,29,30)/b14-13+/t24-/m0/s1
    MOLECULAR FORMULA
    C27H32N2O6
    CROSS REFERENCES
    2085136 logo

    canSAR2085136

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 480.23
    AlogP 3.51
    HBond donors 2
    HBond acceptors 8
    Atoms 67
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2085136.