COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK553508
Chemical Name: ethyl{[3-cyano-4-(3,5-dibromo-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSC1=C(C#N)C(CC(=O)N1)c1cc(Br)c(c(c1)Br)O

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Molecular Weight: 490.17
Empirical Formula: C16H14Br2N2O4S

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 4.757
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 124
Number of rings: 2

     

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