COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK564268
Chemical Name: (E)-{1-[3-(diethylammonio)propyl]-2-(2,5-dimethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Smiles: COc1ccc(cc1C1N(CCC[NH+](CC)CC)C(=O)C(=O)/C/1=C(\c1cccs1)/[O-])OC

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Molecular Weight: 458.58
Empirical Formula: C24H30N2O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.186
Rotatable bonds: 10
H-donors: 1
H-acceptors: 5
PSA: 111
Number of rings: 3

     

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