COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK562547
Chemical Name: (E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(3-methoxy-4-propoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Smiles: CCCOc1ccc(cc1OC)C1/C(=C(/c2cccs2)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1

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Molecular Weight: 481.57
Empirical Formula: C25H27N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.771
Rotatable bonds: 10
H-donors: 1
H-acceptors: 5
PSA: 126
Number of rings: 4

     

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