COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK133043
Chemical Name: [(5E)-5-{3-ethoxy-4-[(3-nitrobenzyl)oxy]-5-(prop-2-en-1-yl)benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]aceticacid
Smiles: CCOc1cc(/C=C\2/SC(=O)N(C2=O)CC(=O)O)cc(c1OCc1cccc(c1)[N+](=O)[O-])CC=C

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Saltdata: HCI
Molecular Weight: 498.51
Empirical Formula: C24H22N2O8S

Physical State: Dry powder
Available Amount: 274 mg

Lipinsky:
logP: 4.969
Rotatable bonds: 11
H-donors: 1
H-acceptors: 8
PSA: 164
Number of rings: 3

     

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