COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL520190
Chemical Name: 3-(4-{[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]methyl}piperazin-1-yl)propanenitrile
Smiles: OCc1oc(CN2CCN(CC2)CCC#N)c(c(=O)c1)O

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Molecular Weight: 293.32
Empirical Formula: C14H19N3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -0.601
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 97
Number of rings: 2

     

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