COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL147718
Chemical Name: (E)-{2-(4-tert-butylphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(3-chloro-4-ethoxyphenyl)methanolate
Smiles: CCOc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)CCCn1cc[nH+]c1)/[O-]

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Molecular Weight: 522.04
Empirical Formula: C29H32ClN3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.876
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 88
Number of rings: 4

     

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