COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL038375
Chemical Name: (E)-{1-[2-(diethylammonio)ethyl]-2-(2,5-dimethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Smiles: CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2cccs2)/[O-])/C1c1cc(OC)ccc1OC)CC

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Molecular Weight: 444.55
Empirical Formula: C23H28N2O5S

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 4.062
Rotatable bonds: 9
H-donors: 1
H-acceptors: 5
PSA: 111
Number of rings: 3

     

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