COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK965994
Chemical Name: 4-{(4Z)-4-[3-bromo-4-(cyanomethoxy)-5-methoxybenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoicacid
Smiles: N#CCOc1c(Br)cc(cc1OC)/C=C\1/C(=NN(C1=O)c1ccc(cc1)C(=O)O)C

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Molecular Weight: 470.28
Empirical Formula: C21H16BrN3O5

Available Amount: 0 mg

Lipinsky:
logP: 3.258
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 112
Number of rings: 3

     

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