COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL038408
Chemical Name: (E)-(4-butoxy-3-methylphenyl)[2-(4-tert-butylphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)Cc1ccc[nH+]c1)/[O-]

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Molecular Weight: 512.65
Empirical Formula: C32H36N2O4

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 7.085
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 83
Number of rings: 4

     

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