COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL044767
Chemical Name: (E)-(3-chloro-4-ethoxyphenyl)[2-(4-nitrophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: CCOc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])Cc1ccc[nH+]c1)/[O-]

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Molecular Weight: 493.9
Empirical Formula: C25H20ClN3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.159
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 129
Number of rings: 4

     

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