COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL149949
Chemical Name: (E)-(4-butoxy-3-methylphenyl)[1-(2-methoxyethyl)-4,5-dioxo-2-(pyridinium-3-yl)pyrrolidin-3-ylidene]methanolate
Smiles: CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc[nH+]c1)CCOC)/[O-]

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Molecular Weight: 424.5
Empirical Formula: C24H28N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.666
Rotatable bonds: 9
H-donors: 1
H-acceptors: 5
PSA: 93
Number of rings: 3

     

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