COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK031237
Chemical Name: 4-[(E)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl2-nitrobenzenesulfonate
Smiles: S=C1S/C(=C/c2ccc(cc2)OS(=O)(=O)c2ccccc2[N+](=O)[O-])/C(=O)N1Cc1ccccc1

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Molecular Weight: 512.59
Empirical Formula: C23H16N2O6S3

Physical State: Dry powder
Available Amount: 245 mg

Lipinsky:
logP: 4.554
Rotatable bonds: 3
H-donors: 0
H-acceptors: 6
PSA: 175
Number of rings: 4

     

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