COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK725929
Chemical Name: methyl6-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Smiles: CCOc1ccccc1C1C(=C(SCC(=O)Nc2ccc(cc2)Br)NC(=O)C1C(=O)OC)C#N

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Molecular Weight: 544.43
Empirical Formula: C24H22BrN3O5S

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 6.185
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 142
Number of rings: 3

     

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