COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK811202
Chemical Name: (5Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(2-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C\c2ccccc2[N+](=O)[O-])/C(=O)N1C1CCS(=O)(=O)C1

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Saltdata: 1/5CH3COOH
Molecular Weight: 384.46
Empirical Formula: C14H12N2O5S3

Physical State: Dry powder
Available Amount: 403 mg

Lipinsky:
logP: 0.305
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 166
Number of rings: 3

     

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