COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040584
Chemical Name: 6-(4-benzylpiperidin-1-yl)-5-{(Z)-[3-(3-ethoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
Smiles: CCOCCCN1C(=S)S/C(=C\c2c(N3CCC(CC3)Cc3ccccc3)n(C)c(=O)c(c2C)C#N)/C1=O

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Molecular Weight: 550.75
Empirical Formula: C29H34N4O3S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.088
Rotatable bonds: 7
H-donors: 0
H-acceptors: 3
PSA: 134
Number of rings: 4

     

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