COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL313735
Chemical Name: 2-{[4-(1,1-dioxidotetrahydrothiophen-3-yl)piperazin-1-yl]methyl}-3-hydroxy-1-methyl-6-(piperidin-1-ylmethyl)pyridin-4(1H)-one
Smiles: O=c1cc(CN2CCCCC2)n(c(c1O)CN1CCN(CC1)C1CCS(=O)(=O)C1)C

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Molecular Weight: 438.59
Empirical Formula: C21H34N4O4S

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: -0.127
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 92
Number of rings: 4

     

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