canSAR2096298
FEATURES
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NAMES
    SMILES
    O=C(/C=C/c1ccccc1)N[C@@H](COC(=O)c1c(Cl)cc(Cl)cc1Cl)C(=O)NC1CCCCC1
    InChI
    InChI=1S/C25H25Cl3N2O4/c26-17-13-19(27)23(20(28)14-17)25(33)34-15-21(24(32)29-18-9-5-2-6-10-18)30-22(31)12-11-16-7-3-1-4-8-16/h1,3-4,7-8,11-14,18,21H,2,5-6,9-10,15H2,(H,29,32)(H,30,31)/b12-11+/t21-/m0/s1
    MOLECULAR FORMULA
    C25H25Cl3N2O4
    CROSS REFERENCES
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    canSAR2096298
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight522.09
    AlogP5.45
    HBond donors2
    HBond acceptors6
    Atoms59
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2096298.