COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK725842
Chemical Name: benzyl{[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Smiles: N#CC1=C(SCC(=O)OCc2ccccc2)NC(=O)CC1c1ccc(c(c1)OC)O

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Molecular Weight: 424.48
Empirical Formula: C22H20N2O5S

Physical State: Dry powder
Available Amount: 3 mg

Lipinsky:
logP: 3.848
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 133
Number of rings: 3

     

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