COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK563244
Chemical Name: (E)-{2-(4-ethylphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Smiles: CCc1ccc(cc1)C1N(CCC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1cccs1)/[O-]

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Molecular Weight: 440.56
Empirical Formula: C24H28N2O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.841
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 102
Number of rings: 4

     

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