COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL318777
Chemical Name: 6-(azepan-1-ylmethyl)-2-{[4-(1,1-dioxidotetrahydrothiophen-3-yl)piperazin-1-yl]methyl}-3-hydroxy-1-methylpyridin-4(1H)-one
Smiles: O=c1cc(CN2CCCCCC2)n(c(c1O)CN1CCN(CC1)C1CCS(=O)(=O)C1)C

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Molecular Weight: 452.62
Empirical Formula: C22H36N4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.438
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 92
Number of rings: 4

     

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