COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL050247
Chemical Name: 6-(4-benzylpiperidin-1-yl)-5-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
Smiles: CCC(N1C(=S)S/C(=C\c2c(C)c(C#N)c(=O)n(c2N2CCC(CC2)Cc2ccccc2)C)/C1=O)C

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Molecular Weight: 520.72
Empirical Formula: C28H32N4O2S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.74
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 125
Number of rings: 4

     

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