COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045132
Chemical Name: (E)-(3-methoxyphenyl)[2-(5-methylfuran-2-yl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(o1)C)Cc1ccc[nH+]c1)/[O-]

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Molecular Weight: 404.42
Empirical Formula: C23H20N2O5

Physical State: Dry powder
Available Amount: 267 mg

Lipinsky:
logP: 2.994
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 96
Number of rings: 4

     

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