COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043578
Chemical Name: (E)-[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(pyridin-4-yl)pyrrolidin-3-ylidene](thiophen-2-yl)methanolate
Smiles: O=C1C(=O)/C(=C(\c2cccs2)/[O-])/C(N1Cc1ccc[nH+]c1)c1ccncc1

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Molecular Weight: 377.42
Empirical Formula: C20H15N3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.72
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 115
Number of rings: 4

     

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