COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL039619
Chemical Name: (E)-(3-chloro-4-methoxyphenyl){2-(2,5-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: COc1ccc(c(c1)C1/C(=C(/c2ccc(c(c2)Cl)OC)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1)OC

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Molecular Weight: 511.96
Empirical Formula: C26H26ClN3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.537
Rotatable bonds: 9
H-donors: 1
H-acceptors: 6
PSA: 107
Number of rings: 4

     

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