COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK975806
Chemical Name: 4-{(4E)-4-[2-bromo-5-ethoxy-4-(prop-2-en-1-yloxy)benzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoicacid
Smiles: C=CCOc1cc(Br)c(cc1OCC)/C=C/1\C(=NN(C1=O)c1ccc(cc1)C(=O)O)C

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Molecular Weight: 485.33
Empirical Formula: C23H21BrN2O5

Physical State: Dry powder
Available Amount: 41 mg

Lipinsky:
logP: 5.305
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 88
Number of rings: 3

     

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