COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL056654
Chemical Name: (E)-{2-(4-ethoxy-3-methoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Smiles: CCOc1ccc(cc1OC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1

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Molecular Weight: 517.58
Empirical Formula: C29H31N3O6

Physical State: Dry powder
Available Amount: 315 mg

Lipinsky:
logP: 3.868
Rotatable bonds: 9
H-donors: 1
H-acceptors: 6
PSA: 107
Number of rings: 5

     

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