COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK560703
Chemical Name: (E)-(4-bromophenyl){2-(4-hydroxy-3-methoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: COc1cc(ccc1O)C1/C(=C(/c2ccc(cc2)Br)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1

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Molecular Weight: 512.36
Empirical Formula: C24H22BrN3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.015
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 108
Number of rings: 4

     

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