COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL150029
Chemical Name: (E)-[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(thiophen-2-yl)pyrrolidin-3-ylidene][4-(prop-2-en-1-yloxy)phenyl]methanolate
Smiles: C=CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccs1)Cc1ccc[nH+]c1)/[O-]

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Molecular Weight: 432.5
Empirical Formula: C24H20N2O4S

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 3.826
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 112
Number of rings: 4

     

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