COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK561929
Chemical Name: (E)-{2-(4-ethoxy-3-methoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-ethoxyphenyl)methanolate
Smiles: CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)OC)OCC)CCCn1cc[nH+]c1)/[O-]

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Molecular Weight: 505.57
Empirical Formula: C28H31N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.901
Rotatable bonds: 9
H-donors: 1
H-acceptors: 6
PSA: 107
Number of rings: 4

     

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