COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL047356
Chemical Name: (E)-[4-(benzyloxy)-3-methylphenyl]{2-(4-tert-butylphenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: C[NH+](CCN1C(c2ccc(cc2)C(C)(C)C)/C(=C(/c2ccc(c(c2)C)OCc2ccccc2)\[O-])/C(=O)C1=O)C

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Molecular Weight: 526.68
Empirical Formula: C33H38N2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.052
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 74
Number of rings: 4

     

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