COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL044969
Chemical Name: propyl{[4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-cyano-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}acetate
Smiles: CCCOC(=O)CSC1=C(C#N)C(CC(=N1)O)c1cc(Br)c(c(c1)OC)O

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Molecular Weight: 455.33
Empirical Formula: C18H19BrN2O5S

Physical State: Dry powder
Available Amount: 312 mg

Lipinsky:
logP: 3.881
Rotatable bonds: 10
H-donors: 2
H-acceptors: 5
PSA: 137
Number of rings: 2

     

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