COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK964638
Chemical Name: 2-[(5Z)-5-{2-[(2-chlorobenzyl)oxy]-5-nitrobenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanedioicacid
Smiles: OC(=O)CC(N1C(=S)S/C(=C\c2cc(ccc2OCc2ccccc2Cl)[N+](=O)[O-])/C1=O)C(=O)O

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Molecular Weight: 522.94
Empirical Formula: C21H15ClN2O8S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.356
Rotatable bonds: 10
H-donors: 2
H-acceptors: 8
PSA: 207
Number of rings: 3

     

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