COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL038629
Chemical Name: (E)-(4-chlorophenyl)[2-(4-nitrophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: Clc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])Cc1ccc[nH+]c1)/[O-]

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Molecular Weight: 449.85
Empirical Formula: C23H16ClN3O5

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 3.652
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 120
Number of rings: 4

     

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