COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK004225
Chemical Name: ethyl5-cyano-6-(methylsulfanyl)-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Smiles: CCOC(=O)C1C(=O)NC(=C(C1c1ccccc1[N+](=O)[O-])C#N)SC

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Molecular Weight: 361.38
Empirical Formula: C16H15N3O5S

Physical State: Dry powder
Available Amount: 185 mg

Lipinsky:
logP: 3.319
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 150
Number of rings: 2

     

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