COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK559510
Chemical Name: (E)-{2-(2,3-dimethoxyphenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Smiles: COc1cccc(c1OC)C1/C(=C(/c2cccs2)\[O-])/C(=O)C(=O)N1CC[NH+](C)C

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Molecular Weight: 416.5
Empirical Formula: C21H24N2O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.856
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 111
Number of rings: 3

     

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