COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK558838
Chemical Name: (E)-{1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-(3-propoxyphenyl)pyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Smiles: CCCOc1cccc(c1)C1/C(=C(/c2cccs2)\[O-])/C(=O)C(=O)N1CC[NH+](CC)CC

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Molecular Weight: 442.58
Empirical Formula: C24H30N2O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.159
Rotatable bonds: 10
H-donors: 1
H-acceptors: 4
PSA: 102
Number of rings: 3

     

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