COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK600790
Chemical Name: 2-[(5Z)-5-(3-nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanedioicacid
Smiles: OC(=O)CC(N1C(=S)S/C(=C\c2cccc(c2)[N+](=O)[O-])/C1=O)C(=O)O

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Molecular Weight: 382.37
Empirical Formula: C14H10N2O7S2

Physical State: Dry powder
Available Amount: 245 mg

Lipinsky:
logP: 1.933
Rotatable bonds: 7
H-donors: 2
H-acceptors: 7
PSA: 198
Number of rings: 2

     

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