COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK576345
Chemical Name: ethyl6-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(2-fluorophenyl)-2-hydroxy-3,4-dihydropyridine-3-carboxylate
Smiles: CCOC(=O)C1C(=NC(=C(C1c1ccccc1F)C#N)SCC(=O)Nc1ccc(cc1)Br)O

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Molecular Weight: 532.39
Empirical Formula: C23H19BrFN3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.031
Rotatable bonds: 8
H-donors: 2
H-acceptors: 4
PSA: 137
Number of rings: 3

     

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