COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK826190
Chemical Name: methyl{[4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Smiles: COC(=O)CSC1=C(C#N)C(CC(=O)N1)c1cc(Br)c(c(c1)OC)O

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Molecular Weight: 427.28
Empirical Formula: C16H15BrN2O5S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 3.109
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 133
Number of rings: 2

     

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