COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL148138
Chemical Name: (E)-{2-(2,5-dimethoxyphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Smiles: COc1ccc(c(c1)C1/C(=C(/c2cccs2)\[O-])/C(=O)C(=O)N1CCC[NH+](C)C)OC

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Molecular Weight: 430.52
Empirical Formula: C22H26N2O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.124
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 111
Number of rings: 3

     

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