COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL044187
Chemical Name: (E)-{1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxo-2-[3-(prop-2-en-1-yloxy)phenyl]pyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Smiles: C=CCOc1cccc(c1)C1/C(=C(/c2cccs2)\[O-])/C(=O)C(=O)N1CC[NH+]1CCOCC1

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Molecular Weight: 454.55
Empirical Formula: C24H26N2O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.446
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 111
Number of rings: 4

     

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