COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK536973
Chemical Name: 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(hexylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Smiles: CCCCCCSC1=C(C#N)C(CC(=O)N1)c1cc(Br)c(c(c1)OC)O

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Molecular Weight: 439.37
Empirical Formula: C19H23BrN2O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.198
Rotatable bonds: 9
H-donors: 2
H-acceptors: 3
PSA: 107
Number of rings: 2

     

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