COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043471
Chemical Name: 4-bromo-2-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ammonio]methyl}phenolate
Smiles: Brc1ccc(c(c1)C[NH2+]c1c(C)n(n(c1=O)c1ccccc1)C)[O-]

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Molecular Weight: 388.26
Empirical Formula: C18H18BrN3O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.219
Rotatable bonds: 2
H-donors: 2
H-acceptors: 2
PSA: 63
Number of rings: 3

     

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