COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK566474
Chemical Name: (E)-{2-(3,4-diethoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methylphenyl)methanolate
Smiles: CCOc1cc(ccc1OCC)C1/C(=C(/c2ccc(cc2)C)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1

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Molecular Weight: 489.57
Empirical Formula: C28H31N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.415
Rotatable bonds: 9
H-donors: 1
H-acceptors: 5
PSA: 97
Number of rings: 4

     

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