COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK083284
Chemical Name: 2-ethoxy-4-{(E)-[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenyl2-chlorobenzoate
Smiles: CCOc1cc(ccc1OC(=O)c1ccccc1Cl)/C=C/1\C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])C

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Molecular Weight: 505.91
Empirical Formula: C26H20ClN3O6

Physical State: Dry powder
Available Amount: 340 mg

Lipinsky:
logP: 5.107
Rotatable bonds: 6
H-donors: 0
H-acceptors: 6
PSA: 114
Number of rings: 4

     

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