COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045203
Chemical Name: (E)-{1-[2-(diethylammonio)ethyl]-2-(2-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Smiles: COc1ccccc1C1N(CC[NH+](CC)CC)C(=O)C(=O)/C/1=C(\c1cccs1)/[O-]

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Molecular Weight: 414.53
Empirical Formula: C22H26N2O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.097
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 102
Number of rings: 3

     

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