COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043961
Chemical Name: (E)-{1-[3-(diethylammonio)propyl]-2-(4-ethoxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Smiles: CCOc1ccc(cc1OC)C1/C(=C(/c2cccs2)\[O-])/C(=O)C(=O)N1CCC[NH+](CC)CC

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Molecular Weight: 472.61
Empirical Formula: C25H32N2O5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.574
Rotatable bonds: 11
H-donors: 1
H-acceptors: 5
PSA: 111
Number of rings: 3

     

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