COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK839721
Chemical Name: 4-(1,3-benzodioxol-5-yl)-6-oxo-2-(propylsulfanyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile
Smiles: CCCSC1=C(C#N)C(CC(=O)N1)c1ccc2c(c1)OCO2

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Molecular Weight: 316.38
Empirical Formula: C16H16N2O3S

Physical State: Dry powder
Available Amount: 370 mg

Lipinsky:
logP: 3.388
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 96
Number of rings: 3

     

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