COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK574119
Chemical Name: methyl5-cyano-4-(4-ethoxyphenyl)-2-hydroxy-6-[(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-3,4-dihydropyridine-3-carboxylate
Smiles: CCOc1ccc(cc1)C1C(=C(SCC(=O)Nc2ccccc2C(F)(F)F)N=C(C1C(=O)OC)O)C#N

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Molecular Weight: 533.53
Empirical Formula: C25H22F3N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.569
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 146
Number of rings: 3

     

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