COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL003683
Chemical Name: 1,4-dimethyl-2-oxo-5-[(Z)-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-6-(thiomorpholin-4-yl)-1,2-dihydropyridine-3-carbonitrile
Smiles: CCCCCN1C(=S)S/C(=C\c2c(N3CCSCC3)n(C)c(=O)c(c2C)C#N)/C1=O

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Molecular Weight: 462.66
Empirical Formula: C21H26N4O2S3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.09
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 150
Number of rings: 3

     

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