COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL047756
Chemical Name: (E)-[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(pyridin-3-yl)pyrrolidin-3-ylidene](phenyl)methanolate
Smiles: [O-]/C(=C\1/C(=O)C(=O)N(C1c1cccnc1)Cc1ccc[nH+]c1)/c1ccccc1

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Molecular Weight: 371.4
Empirical Formula: C22H17N3O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.905
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 87
Number of rings: 4

     

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