COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK038790
Chemical Name: 4-{(4E)-4-[3-ethoxy-4-(prop-2-yn-1-yloxy)benzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoicacid
Smiles: CCOc1cc(ccc1OCC#C)/C=C/1\C(=NN(C1=O)c1ccc(cc1)C(=O)O)C

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Molecular Weight: 404.42
Empirical Formula: C23H20N2O5

Physical State: Dry powder
Available Amount: 84 mg

Lipinsky:
logP: 3.385
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 88
Number of rings: 3

     

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