COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK561944
Chemical Name: (E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Smiles: O=C1C(=O)/C(=C(\c2cccs2)/[O-])/C(N1CCCn1c[nH+]cc1)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 438.46
Empirical Formula: C21H18N4O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.701
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 153
Number of rings: 4

     

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