COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK565678
Chemical Name: (E)-{1-[2-(diethylammonio)ethyl]-2-(4-ethoxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-methoxy-3-methylphenyl)methanolate
Smiles: CCOc1ccc(cc1OC)C1/C(=C(/c2ccc(c(c2)C)OC)\[O-])/C(=O)C(=O)N1CC[NH+](CC)CC

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Molecular Weight: 496.6
Empirical Formula: C28H36N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.04
Rotatable bonds: 11
H-donors: 1
H-acceptors: 6
PSA: 92
Number of rings: 3

     

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