COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK563780
Chemical Name: (E)-[2-(3-nitrophenyl)-4,5-dioxo-1-(pyridinium-3-yl)pyrrolidin-3-ylidene](phenyl)methanolate
Smiles: [O-]/C(=C/1\C(c2cccc(c2)[N+](=O)[O-])N(C(=O)C1=O)c1ccc[nH+]c1)/c1ccccc1

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Molecular Weight: 401.38
Empirical Formula: C22H15N3O5

Physical State: Dry powder
Available Amount: 316 mg

Lipinsky:
logP: 3.047
Rotatable bonds: 1
H-donors: 1
H-acceptors: 5
PSA: 120
Number of rings: 4

     

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