COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL039539
Chemical Name: (E)-{1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-[4-(prop-2-en-1-yloxy)phenyl]pyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Smiles: C=CCOc1ccc(cc1)C1/C(=C(/c2cccs2)\[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1

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Molecular Weight: 468.57
Empirical Formula: C25H28N2O5S

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 3.57
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 111
Number of rings: 4

     

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