COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK085092
Chemical Name: 2-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenylbenzenesulfonate
Smiles: CCOc1cc(ccc1OS(=O)(=O)c1ccccc1)/C=C/1\C(=NN(C1=O)c1ccccc1)C

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Molecular Weight: 462.53
Empirical Formula: C25H22N2O5S

Physical State: Dry powder
Available Amount: 75 mg

Lipinsky:
logP: 4.311
Rotatable bonds: 5
H-donors: 0
H-acceptors: 5
PSA: 93
Number of rings: 4

     

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