COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK009740
Chemical Name: methyl{[3-cyano-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Smiles: COC(=O)CSC1=C(C#N)C(CC(=O)N1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 347.35
Empirical Formula: C15H13N3O5S

Physical State: Dry powder
Available Amount: 31 mg

Lipinsky:
logP: 2.762
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 150
Number of rings: 2

     

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