COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL038131
Chemical Name: (E)-[2-(3-nitrophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](thiophen-2-yl)methanolate
Smiles: [O-]/C(=C\1/C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])Cc1ccc[nH+]c1)/c1cccs1

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Molecular Weight: 421.43
Empirical Formula: C21H15N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.942
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 148
Number of rings: 4

     

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