COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL149812
Chemical Name: (E)-[4,5-dioxo-2-(4-propoxyphenyl)-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](thiophen-2-yl)methanolate
Smiles: CCCOc1ccc(cc1)C1/C(=C(/c2cccs2)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1

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Molecular Weight: 434.52
Empirical Formula: C24H22N2O4S

Physical State: Dry powder
Available Amount: 295 mg

Lipinsky:
logP: 4.19
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 112
Number of rings: 4

     

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