COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK661500
Chemical Name: ethyl6-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-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)SCC(=O)Nc1ccc(cc1)Br

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Molecular Weight: 559.4
Empirical Formula: C23H19BrN4O6S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6
Rotatable bonds: 7
H-donors: 2
H-acceptors: 6
PSA: 179
Number of rings: 3

     

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