COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK045314
Chemical Name: 2-ethoxy-4-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl2-nitrobenzenesulfonate
Smiles: CCOc1cc(ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-])/C=C/1\SC(=S)NC1=O

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Molecular Weight: 466.52
Empirical Formula: C18H14N2O7S3

Physical State: Dry powder
Available Amount: 81 mg

Lipinsky:
logP: 2.757
Rotatable bonds: 6
H-donors: 1
H-acceptors: 7
PSA: 193
Number of rings: 3

     

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