COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK887376
Chemical Name: methyl{[4-(1,3-benzodioxol-5-yl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Smiles: COC(=O)CSC1=C(C#N)C(CC(=O)N1)c1ccc2c(c1)OCO2

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Molecular Weight: 346.36
Empirical Formula: C16H14N2O5S

Physical State: Dry powder
Available Amount: 33 mg

Lipinsky:
logP: 2.893
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 122
Number of rings: 3

     

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