COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK559820
Chemical Name: (E)-(4-methylphenyl)[2-(4-nitrophenyl)-4,5-dioxo-1-(pyrimidin-1-ium-2-yl)pyrrolidin-3-ylidene]methanolate
Smiles: Cc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])c1nccc[nH+]1)/[O-]

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Molecular Weight: 416.39
Empirical Formula: C22H16N4O5

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 3.113
Rotatable bonds: 0
H-donors: 1
H-acceptors: 5
PSA: 133
Number of rings: 4

     

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