COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL056711
Chemical Name: 5-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1,4-dimethyl-6-(4-methylpiperazin-1-yl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
Smiles: CCC(N1C(=S)S/C(=C\c2c(N3CCN(CC3)C)n(C)c(=O)c(c2C)C#N)/C1=O)C

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Molecular Weight: 445.61
Empirical Formula: C21H27N5O2S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.974
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 128
Number of rings: 3

     

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