COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK091954
Chemical Name: 2-[(Z)-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl2-nitrobenzenesulfonate
Smiles: CCN1C(=S)S/C(=C\c2ccccc2OS(=O)(=O)c2ccccc2[N+](=O)[O-])/C1=O

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Molecular Weight: 450.52
Empirical Formula: C18H14N2O6S3

Physical State: Dry powder
Available Amount: 118 mg

Lipinsky:
logP: 3.255
Rotatable bonds: 5
H-donors: 0
H-acceptors: 6
PSA: 175
Number of rings: 3

     

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