COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL478672
Chemical Name: 4-[(5E)-5-{4-[(4-bromobenzyl)oxy]-3-methoxybenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoicacid
Smiles: COc1cc(ccc1OCc1ccc(cc1)Br)/C=C\1/SC(=S)N(C1=O)CCCC(=O)O

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Molecular Weight: 522.44
Empirical Formula: C22H20BrNO5S2

Available Amount: 0 mg

Lipinsky:
logP: 4.145
Rotatable bonds: 9
H-donors: 1
H-acceptors: 5
PSA: 133
Number of rings: 3

     

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