COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL047665
Chemical Name: (E)-{1-[3-(diethylammonio)propyl]-2-(3-methoxy-4-propoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Smiles: CCCOc1ccc(cc1OC)C1/C(=C(/c2cccs2)\[O-])/C(=O)C(=O)N1CCC[NH+](CC)CC

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Molecular Weight: 486.63
Empirical Formula: C26H34N2O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.105
Rotatable bonds: 12
H-donors: 1
H-acceptors: 5
PSA: 111
Number of rings: 3

     

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