COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK559265
Chemical Name: (E)-{1-[2-(diethylammonio)ethyl]-2-(2-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Smiles: CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2cccs2)/[O-])/C1c1ccccc1F)CC

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Molecular Weight: 402.49
Empirical Formula: C21H23FN2O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.233
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 93
Number of rings: 3

     

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