COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL057338
Chemical Name: 4-[(1E)-1-{2-[(4-bromo-3,5-dimethyl-1H-pyrazol-2-ium-1-yl)acetyl]hydrazinylidene}ethyl]-2-methoxyphenolate
Smiles: COc1cc(ccc1[O-])/C(=N/NC(=O)Cn1[nH+]c(c(c1C)Br)C)/C

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Molecular Weight: 395.26
Empirical Formula: C16H19BrN4O3

Physical State: Dry powder
Available Amount: 273 mg

Lipinsky:
logP: 2.951
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 92
Number of rings: 2

     

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