COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK885873
Chemical Name: methyl6-({2-[(2-bromo-4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Smiles: COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)C)C#N)SCC(=O)Nc1ccc(cc1Br)[N+](=O)[O-]

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Molecular Weight: 559.4
Empirical Formula: C23H19BrN4O6S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.624
Rotatable bonds: 5
H-donors: 2
H-acceptors: 6
PSA: 179
Number of rings: 3

     

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