COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL149968
Chemical Name: (E)-(4-butoxy-2-methylphenyl)[2-(3-nitrophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: CCCCOc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])Cc1ccc[nH+]c1)/[O-]

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Molecular Weight: 501.54
Empirical Formula: C28H27N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.126
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 129
Number of rings: 4

     

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