COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK564988
Chemical Name: (E)-{2-(4-ethoxy-3-methoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methoxyphenyl)methanolate
Smiles: CCOc1ccc(cc1OC)C1/C(=C(/c2ccc(cc2)OC)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1

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Molecular Weight: 491.54
Empirical Formula: C27H29N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.369
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 107
Number of rings: 4

     

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