COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK400412
Chemical Name: 3-{(4E)-4-[4-(benzyloxy)-3-bromo-5-methoxybenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoicacid
Smiles: COc1cc(/C=C/2\C(=NN(C2=O)c2cccc(c2)C(=O)O)C)cc(c1OCc1ccccc1)Br

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Molecular Weight: 521.37
Empirical Formula: C26H21BrN2O5

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.225
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 88
Number of rings: 4

     

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