COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL147971
Chemical Name: (E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(2-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}(phenyl)methanolate
Smiles: O=C1C(=O)/C(=C(\c2ccccc2)/[O-])/C(N1CCCn1c[nH+]cc1)c1ccccc1[N+](=O)[O-]

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Molecular Weight: 432.44
Empirical Formula: C23H20N4O5

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 2.886
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 125
Number of rings: 4

     

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