COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK552116
Chemical Name: 2-[(5Z)-5-(4-hydroxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-4-(methylsulfanyl)butanoicacid
Smiles: CSCCC(N1C(=S)S/C(=C\c2ccc(c(c2)OC)O)/C1=O)C(=O)O

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Molecular Weight: 399.51
Empirical Formula: C16H17NO5S3

Physical State: Dry powder
Available Amount: 344 mg

Lipinsky:
logP: 2.303
Rotatable bonds: 9
H-donors: 2
H-acceptors: 5
PSA: 169
Number of rings: 2

     

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