COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL003279
Chemical Name: 6-(2,6-dimethylmorpholin-4-yl)-1,4-dimethyl-2-oxo-5-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1,2-dihydropyridine-3-carbonitrile
Smiles: C=CCN1C(=S)S/C(=C\c2c(N3CC(C)OC(C3)C)n(C)c(=O)c(c2C)C#N)/C1=O

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Molecular Weight: 444.58
Empirical Formula: C21H24N4O3S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.613
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 134
Number of rings: 3

     

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