COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043847
Chemical Name: (E)-{1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Smiles: CC[NH+](CCN1C(c2ccccc2)/C(=C(/c2cccs2)\[O-])/C(=O)C1=O)CC

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Molecular Weight: 384.5
Empirical Formula: C21H24N2O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.181
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 93
Number of rings: 3

     

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