COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL432520
Chemical Name: 4-[(4Z)-4-(3-bromo-4-ethoxy-5-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoicacid
Smiles: CCOc1c(Br)cc(cc1OC)/C=C\1/C(=NN(C1=O)c1ccc(cc1)C(=O)O)C

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Molecular Weight: 459.3
Empirical Formula: C21H19BrN2O5

Physical State: Dry powder
Available Amount: 114 mg

Lipinsky:
logP: 4.101
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 88
Number of rings: 3

     

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