COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK596817
Chemical Name: 2-[(5Z)-5-benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-N-methylacetamide
Smiles: O=C(N(CC(=O)c1ccc(c(c1)O)O)C)CN1C(=S)S/C(=C\c2ccccc2)/C1=O

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Molecular Weight: 442.52
Empirical Formula: C21H18N2O5S2

Physical State: Dry powder
Available Amount: 364 mg

Lipinsky:
logP: 2.586
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 155
Number of rings: 3

     

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