COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL038854
Chemical Name: (E)-[2-(2,5-dimethoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](thiophen-2-yl)methanolate
Smiles: COc1ccc(c(c1)C1/C(=C(/c2cccs2)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1)OC

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Molecular Weight: 436.49
Empirical Formula: C23H20N2O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.093
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 121
Number of rings: 4

     

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