COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK178147
Chemical Name: (5Z)-5-[3-methoxy-2-(propan-2-yloxy)benzylidene]-3-(3-nitrobenzyl)-1,3-thiazolidine-2,4-dione
Smiles: COc1cccc(c1OC(C)C)/C=C/1\SC(=O)N(C1=O)Cc1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 428.47
Empirical Formula: C21H20N2O6S

Physical State: Dry powder
Available Amount: 157 mg

Lipinsky:
logP: 4.727
Rotatable bonds: 6
H-donors: 0
H-acceptors: 6
PSA: 126
Number of rings: 3

     

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